SCHEMBL4457610

SCHEMBL4457610

CNC(C)C1CNCCO1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 14/20 0.36
SLC6A4 P31645 13/20 0.36
SLC6A3 Q01959 8/20 0.36
MLNR O43193 1/20 0.34
ADRB2 P07550 1/20 0.34
CHRM2 P08172 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
HTR2C P28335 1/20 0.34
OPRK1 P41145 1/20 0.34
KCNH2 Q12809 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MEN1 O00255 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
MAPK1 P28482 1/20 0.34
KMT2A Q03164 1/20 0.34
HRH1 P35367 1/20 0.32

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
SCHEMBL28080595 0.82 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL20773892 0.79 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL12206944 0.79
Fluoride SCHEMBL28166838 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL12206943 0.79
SCHEMBL516648 0.79
SCHEMBL11572913 0.79 SLC6A2 (0.40) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL6039416 0.78 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
SCHEMBL28411964 0.78 SLC6A2 (0.34) SLC6A2SLC6A4SLC6A3MLNRADRB2
Hydrochloric Acid SCHEMBL9054370 0.77 SLC6A2 (0.39) 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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110691784-B Compounds for inhibiting MCL-1 protein 美国安进公司 2023-03-31 CN disclosed
CN-110691784-A Compounds that inhibit MCL-1 protein 美国安进公司 2020-01-14 CN disclosed
CN-109996824-A One-component moisture-curable polyurethane composition 横滨橡胶株式会社 2019-07-09 CN disclosed
CN-108604073-A Conductive roll and its manufacturing method 株式会社普利司通 2018-09-28 CN disclosed
EP-2121793-A1 DISPERSIONS OF POLYURETHANES, THEIR PREPARATION AND USE BASF SE (DE) 2009-11-25 EP disclosed
WO-2008098972-A1 DISPERSIONS OF POLYURETHANES, THEIR PREPARATION AND USE BASF SE (DE) 2008-08-21 WO disclosed
EP-1781743-A1 WATER-SOLUBLE PRODUCTS HARDENING WITH RADIATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-05-09 EP disclosed
EP-1781720-A1 WATER-SOLUBLE, RADIATION-CURABLE PRODUCTS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2007-05-09 EP disclosed
WO-2006018136-A1 WATER-SOLUBLE PRODUCTS HARDENING WITH RADIATION AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 WO disclosed
WO-2006018152-A1 WATER-SOLUBLE, RADIATION-CURABLE PRODUCTS AND USE THEREOF BASF AKTIENGESELLSCHAFT (DE) 2006-02-23 WO disclosed
EP-1599519-A1 METHOD FOR PRODUCING AQUEOUS POLYURETHANE DISPERSIONS IN MINIEMULSION AND IN THE PRESENCE OF A CATALYST BASF AKTIENGESELLSCHAFT (DE) 2005-11-30 EP disclosed
WO-2004076516-A1 METHOD FOR PRODUCING AQUEOUS POLYURETHANE DISPERSIONS IN MINIEMULSION AND IN THE PRESENCE OF A CATALYST BASF AKTIENGESELLSCHAFT (DE) 2004-09-10 WO disclosed