SCHEMBL6142277

SCHEMBL6142277

CCCCCCCCCCCCC(C)(C)C1CNCCO1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 11/20 0.35
EPHX1 P07099 1/20 0.34
ALDH1A1 P00352 1/20 0.32
GNAI3 P08754 2/20 0.30
GNAO1 P09471 2/20 0.30
GNAI1 P63096 2/20 0.30
ADRB2 P07550 1/20 0.30
HTR1A P08908 1/20 0.30
HTR2A P28223 1/20 0.30
SLC6A4 P31645 1/20 0.30
ADRA1A P35348 1/20 0.30
HTR2B P41595 1/20 0.30
SLC6A3 Q01959 1/20 0.30

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
SCHEMBL26316830 0.93 SLC6A2 (0.36) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL20078604 0.86 SLC6A2 (0.38) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL26316921 0.84 SLC6A2 (0.33) SLC6A2EPHX1ALDH1A1
Bromide SCHEMBL18317611 0.84 SLC6A2 (0.39) SLC6A2EPHX1
SCHEMBL15499257 0.80 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL19370313 0.80 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL15496986 0.77 SLC6A2 (0.39) SLC6A2ADRB2HTR1AHTR2ASLC6A4
SCHEMBL8916691 0.75 SLC6A2 (0.38) SLC6A2
SCHEMBL5981607 0.75 SLC6A2 (0.41) SLC6A2HTR1A
SCHEMBL23745495 0.74 EPHX1 (0.40) SLC6A2EPHX1ALDH1A1ADRB2HTR1A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113973845-B Compositions and methods for controlling plant disease 农业生物群落股份有限公司 2023-04-11 CN disclosed
CN-113973845-A Compositions and methods for controlling plant disease 农业生物群落股份有限公司 2022-01-28 CN disclosed
EP-1523238-A1 FUNGICIDAL USE BASF AKTIENGESELLSCHAFT (DE) 2005-04-20 EP disclosed
EP-1504009-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHOD FOR THE PRODUCTION THEREOF, USE THEREOF FOR CONTROLLING HARMFUL FUNGI, AND AGENTS CONTAINING SAID FUNGICIDAL TRIAZOLOPYRIMIDINES BASF AKTIENGESELLSCHAFT (DE) 2005-02-09 EP disclosed
EP-1504001-A1 2-(2-PYRIDYL)-5-PHENYL-6-AMINOPYRIMIDINE, METHOD AND INTERMEDIATE PRODUCTS FOR THE PRODUCTION AND USE THEREOF FOR COMBATING NOXIOUS FUNGI BASF Aktiengesellschaft (DE) 2005-02-09 EP disclosed
EP-1492768-A1 PHENETHYLACRYLAMIDE, METHODS FOR THE PRODUCTION THEREOF AND AGENTS CONTAINING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2005-01-05 EP disclosed
EP-1490372-A1 FUNGICIDAL TRIAZOLOPYRIMIDINES, METHODS FOR PRODUCING THE SAME, USE THEREOF FOR COMBATING HARMFUL FUNGI AND AGENTS CONTAINING SAID SUBSTANCES BASF AKTIENGESELLSCHAFT (DE) 2004-12-29 EP disclosed
EP-1487786-A2 Z-SUBSTITUTED ACRYLAMIDES, METHODS FOR PRODUCTION THEREOF AND AGENTS COMPRISING THE SAME BASF AKTIENGESELLSCHAFT (DE) 2004-12-22 EP disclosed
EP-1448532-A1 5-PHENYLPYRIMIDINES, AGENTS COMPRISING THE SAME, METHOD FOR PRODUCTION AND USE THEREOF BASF Aktiengesellschaft (DE) 2004-08-25 EP disclosed
EP-1432685-A1 CRYSTALLINE HYDRATES OF NICOTINIC ACID ANILIDE AND BENZOYL ANILIDE DERIVATIVES BASF AKTIENGESELLSCHAFT (DE) 2004-06-30 EP disclosed
WO-1998056774-A1 BISIMINO-SUBSTITUTED PHENYL COMPOUNDS AND THEIR USE AS PESTICIDES BASF AKTIENGESELLSCHAFT (DE) 1998-12-17 WO disclosed
WO-1998053682-A1 METHOD FOR COMBATING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1998-12-03 WO disclosed
EP-0876332-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR USE IN PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1998-11-11 EP disclosed
EP-0859549-A1 HARMFUL FUNGI CONTROL WITH AN ACTIVE SUBSTANCE INHIBITING RESPIRATION BY INHIBITING THE CYTOCHROME COMPLEX III, COMBINED WITH AN AMIDE BASF AKTIENGESELLSCHAFT (DE) 1998-08-26 EP disclosed
WO-1998012179-A1 PYRIDINE DERIVATIVES, PROCESS FOR PREPARING THE SAME AND THEIR USE FOR CONTROLLING ANIMAL PESTS AND HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1998-03-26 WO disclosed
WO-1997039628-A1 PROCESS AND AGENTS FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed
WO-1997039630-A1 PROCESS AND AGENTS FOR CONTROLLING HARMFUL FUNGI BASF AKTIENGESELLSCHAFT (DE) 1997-10-30 WO disclosed
WO-1997032842-A1 DIPHENYLETHERS, PROCESS AND INTERMEDIATE PRODUCTS FOR THEIR PREPARATION, AND THEIR USE BASF AKTIENGESELLSCHAFT (DE) 1997-09-12 WO disclosed
WO-1997015552-A1 PHENYLACETIC ACID DERIVATIVES, PROCESS AND INTERMEDIATE PRODUCTS FOR USE IN PRODUCING THEM AND AGENTS CONTAINING THEM BASF AKTIENGESELLSCHAFT (DE) 1997-05-01 WO disclosed
WO-1997010716-A1 HARMFUL FUNGI CONTROL WITH AN ACTIVE SUBSTANCE INHIBITING RESPIRATION BY INHIBITING THE CYTOCHROME COMPLEX III, COMBINED WITH AN AMIDE BASF AKTIENGESELLSCHAFT (DE) 1997-03-27 WO disclosed