SCHEMBL6833197

SCHEMBL6833197

CCCCCCCCCCCCC(C)C1CNCCO1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 6/20 0.35
SLC6A4 P31645 6/20 0.35
SLC6A3 Q01959 6/20 0.35
MLNR O43193 1/20 0.35
ADRB2 P07550 1/20 0.35
CHRM2 P08172 1/20 0.35
CHRM1 P11229 1/20 0.35
CHRM3 P20309 1/20 0.35
HTR2C P28335 1/20 0.35
OPRK1 P41145 1/20 0.35
KCNH2 Q12809 1/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
KMT2A Q03164 1/20 0.35
EPHX1 P07099 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL9858373 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL5712863 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6712356 1.00 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3MLNRADRB2
Bromide SCHEMBL11125786 0.98 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL21817059 0.98 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL8366765 0.98 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Bromide SCHEMBL11125370 0.98 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL8370346 0.97 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL3305446 0.90 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
Bromide SCHEMBL2347783 0.88 SLC6A2 (0.37) SLC6A2SLC6A4SLC6A3MLNRADRB2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 32 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1432308-A1 BIODEGRADABLE SOLID PREPARATION OF A PHYTOPATHOLOGICAL AGENT WITH DELAYED ACTIVE-SUBSTANCE RELEASE BASF AKTIENGESELLSCHAFT (DE) 2004-06-30 EP disclosed
EP-1399492-A1 USE OF WATER-SOLUBLE OR WATER-DISPERSIBLE, POLYETHER BLOCK CONTAINING GRAFT POLYMERS AS COATING AGENTS, MATRIX FORMERS AND/OR PACKAGING MATERIALS FOR AGROCHEMICALS BASF AKTIENGESELLSCHAFT (DE) 2004-03-24 EP disclosed
WO-2003028453-A1 BIODEGRADABLE SOLID PREPARATION OF A PHYTOPATHOLOGICAL AGENT WITH DELAYED ACTIVE-SUBSTANCE RELEASE BASF AKTIENGESELLSCHAFT (DE) 2003-04-10 WO disclosed
WO-2002100913-A1 USE OF WATER-SOLUBLE OR WATER-DISPERSIBLE, POLYETHER BLOCK CONTAINING GRAFT POLYMERS AS COATING AGENTS, MATRIX FORMERS AND/OR PACKAGING MATERIALS FOR AGROCHEMICALS BASF AKTIENGESELLSCHAFT (DE) 2002-12-19 WO disclosed
EP-1257172-A2 FUNGICIDAL AGENTS CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS AND USE THEREOF FOR TREATING PLANTS BASF AKTIENGESELLSCHAFT (DE) 2002-11-20 EP disclosed
WO-2002074085-A1 NEORUSTMICIN A-DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
WO-2002074084-A1 NEORUSTMICIN D DERIVATIVES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
WO-2002074086-A1 NEORUSTMICIN B DERIVATIVES AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 2002-09-26 WO disclosed
WO-2002059104-A1 RUSTMICIN DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2002-08-01 WO disclosed
EP-1133229-A1 FUNGICIDES CONTAINING PYRROLIDONES AS THEIR ACTIVE AGENTS BASF AKTIENGESELLSCHAFT (DE) 2001-09-19 EP disclosed
WO-1997023471-A1 5-DIFLUOROMETHOXY-3-ARYL-1,2,4-THIADIAZOL DERIVATIVES, THEIR PREPARATION AND THEIR USE AS NEMATICIDE AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-07-03 WO disclosed
EP-0769010-A1 2-[1',2',4'-TRIAZOL-3'-YLOXYMETHYLENE]-ANILIDES AND THEIR USE AS PEST-CONTROL AGENTS BASF AKTIENGESELLSCHAFT (DE) 1997-04-23 EP disclosed
EP-0758322-A1 ALPHA-(PYRAZOL-3-YL)-OXYMETHYLENE-PHENYLBUTENIC ACID METHYL ESTERS AND THE USE THEREOF AGAINST HARMFUL FUNGI OR ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1997-02-19 EP disclosed
WO-1997001545-A1 IMINOOXYBENZYL COMPOUNDS AND THEIR USE AS PESTICIDES AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1997-01-16 WO disclosed
WO-1996016044-A1 IMINOOXYMETHYLENE ANILIDES, PROCESS FOR PREPARING THE SAME AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed
WO-1996016029-A1 2-(4-BIPHENYL-OXYMETHYLENE)ANILIDES, PROCESS AND INTERMEDIATE PRODUCTS FOR PREPARING THE SAME AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-05-30 WO disclosed
WO-1996001258-A1 2-[1',2',4'-TRIAZOL-3'-YLOXYMETHYLENE]-ANILIDES AND THEIR USE AS PEST-CONTROL AGENTS BASF AKTIENGESELLSCHAFT (DE) 1996-01-18 WO disclosed
WO-1996001256-A1 USE OF 2-[(DIHYDRO)PYRAZOLYL-3'-OXYMETHYLENE]-ANILIDES AS PEST-CONTROL AGENTS AND FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1996-01-18 WO disclosed
WO-1995029896-A1 ALPHA-(PYRAZOL-3-YL)-OXYMETHYLENE-PHENYLBUTENIC ACID METHYL ESTERS AND THE USE THEREOF AGAINST HARMFUL FUNGI OR ANIMAL PESTS BASF AKTIENGESELLSCHAFT (DE) 1995-11-09 WO disclosed
WO-1995023785-A1 CARBAMOYL CARBOXYLIC ACID AMIDES, PROCESS FOR PRODUCING THEM AND THEIR USE AS FUNGICIDES BASF AKTIENGESELLSCHAFT (DE) 1995-09-08 WO disclosed