SCHEMBL975221

SCHEMBL975221

C(#Cc1ccccc1)CN1CCC(Nc2nccs2)C1

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SCN8A Q9UQD0 8/20 0.45
SCN1A P35498 7/20 0.45
SCN5A Q14524 1/20 0.40
GRM5 P41594 2/20 0.40
HTR2A P28223 1/20 0.39
HTR2C P28335 1/20 0.39
HTR2B P41595 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
LMNA P02545 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
GRIN1 Q05586 1/20 0.38
GRIN2B Q13224 1/20 0.38
ALDH1A1 P00352 1/20 0.37

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
SCHEMBL973549 0.94 SCN8A (0.40) SCN8ASCN1ASCN5AGRM5LMNA
SCHEMBL4700276 0.93 LMNA (0.43) SCN8ASCN1AGRM5LMNAMAPK1
SCHEMBL973961 0.76 GRIN2B (0.42) SCN8ASCN1AGRM5RAB9AGRIN2B
SCHEMBL3322466 0.75 HTT (0.61) SCN8ASCN1ALMNAMAPK1RAB9A
SCHEMBL2852667 0.74 SIGMAR1 (0.44) SCN8ASCN1AGRM5HTR2AHTR2C
SCHEMBL4700278 0.73 GRM5 (0.45) GRM5RAB9AGRIN2BALDH1A1
SCHEMBL973550 0.72 GRM5 (0.40) GRM5GRIN2BALDH1A1
SCHEMBL4701149 0.71 GRIN2B (0.41) SCN8ASCN1AGRM5HTR2AHTR2C
SCHEMBL975924 0.70 TRPM8 (0.39) SCN8ASCN1AGRM5SIGMAR1LMNA
SCHEMBL3144817 0.70 GRM5 (0.52) GRM5HTR2ALMNAMAPK1RAB9A

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 6 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
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