SCHEMBL971923

SCHEMBL971923

CN(c1ncc(F)s1)C1CN(CC#Cc2cccc(Cl)c2)C1

nearest known ligand 0.36

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 3/20 0.36
CHRM1 P11229 3/20 0.36
USP30 Q70CQ3 1/20 0.34
GRM5 P41594 10/20 0.33
CHRNB2 P17787 1/20 0.32
CHRNA4 P43681 1/20 0.32
CYP2D6 P10635 1/20 0.32
SCN1A P35498 1/20 0.31
SCN8A Q9UQD0 1/20 0.31
GRIN2B Q13224 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
SCHEMBL972486 0.93 USP30 (0.39) CHRM2CHRM1USP30GRM5SCN1A
SCHEMBL975937 0.82 SCN1A (0.37) CHRM2CHRM1GRM5CYP2D6SCN1A
SCHEMBL971924 0.81 GRM5 (0.40) USP30GRM5
SCHEMBL972487 0.77 GRM5 (0.39) USP30GRM5
SCHEMBL8228125 0.73 PKM (0.43) GRM5CYP2D6
SCHEMBL973631 0.66 GRM5 (0.40) GRM5
SCHEMBL973236 0.63 GRM5 (0.39) GRM5SCN1ASCN8A
SCHEMBL5710782 0.62 SLC6A4 (0.50) CHRM2CHRM1CYP2D6
SCHEMBL4117658 0.62 CHRM2 (0.37) CHRM2CHRM1GRM5CYP2D6
SCHEMBL4122872 0.61 LMNA (0.42) CHRM2CHRM1GRM5CYP2D6

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