SCHEMBL973549

SCHEMBL973549

C(#Cc1ccccc1)CN1CCCC(Nc2nccs2)C1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 6/20 0.40
SCN1A P35498 5/20 0.40
GRM5 P41594 2/20 0.39
LMNA P02545 2/20 0.38
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
AGTR2 P50052 1/20 0.36
SCN5A Q14524 1/20 0.36

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
SCHEMBL975221 0.94 SCN8A (0.45) SCN8ASCN1AGRM5LMNAMAPK1
SCHEMBL4700276 0.87 LMNA (0.43) SCN8ASCN1AGRM5LMNAMAPK1
SCHEMBL973550 0.77 GRM5 (0.40) GRM5ALDH1A1
SCHEMBL975924 0.75 TRPM8 (0.39) SCN8ASCN1AGRM5LMNAHRH3
SCHEMBL973961 0.72 GRIN2B (0.42) SCN8ASCN1AGRM5RAB9AALDH1A1
SCHEMBL2852667 0.70 SIGMAR1 (0.44) SCN8ASCN1AGRM5ALDH1A1L3MBTL1
SCHEMBL972113 0.70 DRD2 (0.53) GRM5LMNAMAPK1RAB9AHRH3
SCHEMBL4700278 0.70 GRM5 (0.45) GRM5RAB9AALDH1A1
SCHEMBL3144817 0.69 GRM5 (0.52) GRM5LMNAMAPK1RAB9A
SCHEMBL3322466 0.69 HTT (0.61) SCN8ASCN1ALMNAMAPK1RAB9A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7871999-B2 Substituted thiazoles and their use for producing drugs GRUENENTHAL GMBH (DE) 2011-01-18 US claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP claimed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO claimed
EP-1968957-B1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2010-01-20 EP disclosed
WO-2007079960-A9 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS GRUENENTHAL GMBH (DE) 2008-10-23 WO disclosed
EP-1968957-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2008-09-17 EP disclosed
WO-2007079960-A1 SUBSTITUTED THIAZOLES AND THEIR USE FOR PRODUCING DRUGS Grünenthal GmbH (DE) 2007-07-19 WO disclosed