SCHEMBL15544705

SCHEMBL15544705

Cc1cc(Br)ccc1CN1CCC2(CC1)CN(C1CC1)C(=O)CO2

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.40
OPRM1 P35372 5/20 0.40
SIGMAR1 Q99720 4/20 0.40
KCNH2 Q12809 1/20 0.36
TRPC5 Q9UL62 2/20 0.34
TRPV6 Q9H1D0 1/20 0.34
SSTR5 P35346 1/20 0.34
MCHR1 Q99705 1/20 0.33

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
SCHEMBL15544449 0.88 FASN (0.40) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL14841999 0.88 OPRM1 (0.45) FASNOPRM1SIGMAR1
SCHEMBL15543650 0.88 OPRM1 (0.42) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15544411 0.83 SIGMAR1 (0.52) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15544787 0.82 SIGMAR1 (0.44) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL15544258 0.81 FASN (0.44) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15543477 0.80 SIGMAR1 (0.40) FASNOPRM1SIGMAR1KCNH2SSTR5
SCHEMBL14720324 0.80 SIGMAR1 (0.44) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15544845 0.80 FASN (0.39) FASNOPRM1SIGMAR1KCNH2
SCHEMBL4542291 0.80 FASN (0.51) FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed