SCHEMBL972486

SCHEMBL972486

CN(c1ncc(F)s1)C1CCN(CC#Cc2cccc(Cl)c2)C1

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
USP30 Q70CQ3 1/20 0.39
EBP Q15125 1/20 0.38
SIGMAR1 Q99720 1/20 0.38
SCN1A P35498 9/20 0.37
SCN8A Q9UQD0 9/20 0.37
CXCR3 P49682 1/20 0.35
SCN5A Q14524 1/20 0.35
CHRM2 P08172 2/20 0.35
CHRM1 P11229 2/20 0.35
GRM5 P41594 2/20 0.34
GRIN2B Q13224 1/20 0.34

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 0.93 CHRM2 (0.36) USP30SCN1ASCN8ACHRM2CHRM1
SCHEMBL972487 0.81 GRM5 (0.39) USP30GRM5
SCHEMBL971924 0.78 GRM5 (0.40) USP30GRM5
SCHEMBL975937 0.75 SCN1A (0.37) SCN1ASCN8ACHRM2CHRM1GRM5
SCHEMBL8234230 0.73 ALDH1A1 (0.47) USP30
SCHEMBL2852667 0.71 SIGMAR1 (0.44) USP30EBPSIGMAR1SCN1ASCN8A
SCHEMBL8228125 0.68 PKM (0.43) GRM5
SCHEMBL975924 0.66 TRPM8 (0.39) USP30EBPSIGMAR1SCN1ASCN8A
SCHEMBL973631 0.65 GRM5 (0.40) GRM5
SCHEMBL4701149 0.64 GRIN2B (0.41) EBPSIGMAR1SCN1ASCN8AGRM5

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