SCHEMBL975937

SCHEMBL975937

CN(c1nccs1)C1CN(CC#Cc2cccc(Cl)c2)C1

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SCN1A P35498 3/20 0.37
SCN8A Q9UQD0 3/20 0.37
CHRM2 P08172 3/20 0.37
CHRM1 P11229 3/20 0.37
GRM5 P41594 7/20 0.34
CYP2D6 P10635 1/20 0.33
ADORA3 P0DMS8 2/20 0.31
FBP1 P09467 1/20 0.31

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
SCHEMBL971923 0.82 CHRM2 (0.36) SCN1ASCN8ACHRM2CHRM1GRM5
SCHEMBL973236 0.80 GRM5 (0.39) SCN1ASCN8AGRM5ADORA3
SCHEMBL2852667 0.79 SIGMAR1 (0.44) SCN1ASCN8AGRM5
SCHEMBL975924 0.78 TRPM8 (0.39) SCN1ASCN8ACHRM2GRM5
SCHEMBL4701149 0.77 GRIN2B (0.41) SCN1ASCN8AGRM5
SCHEMBL972486 0.75 USP30 (0.39) SCN1ASCN8ACHRM2CHRM1GRM5
SCHEMBL3160433 0.73 GRM5 (0.40) CHRM2CHRM1GRM5
SCHEMBL8234256 0.72 PKM (0.45) GRM5CYP2D6
SCHEMBL3156188 0.70 CHRM2 (0.36) CHRM2CHRM1GRM5
SCHEMBL972450 0.66 GRM5 (0.39) GRM5ADORA3

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