SCHEMBL15544787

SCHEMBL15544787

Cc1cc(CN2CCC3(CC2)CN(C2CC2)C(=O)CO3)ccc1Br

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.44
OPRM1 P35372 3/20 0.44
FASN P49327 4/20 0.40
KCNH2 Q12809 1/20 0.38
CCR3 P51677 1/20 0.37
CHRM2 P08172 4/20 0.35
CHRM3 P20309 4/20 0.35
PDE2A O00408 1/20 0.35
DRD2 P14416 2/20 0.34
DRD4 P21917 2/20 0.34
DRD3 P35462 1/20 0.34
SSTR5 P35346 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
SCHEMBL15544532 0.88 SIGMAR1 (0.44) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15543949 0.88 SIGMAR1 (0.47) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15544411 0.85 SIGMAR1 (0.52) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15544705 0.82 FASN (0.40) SIGMAR1OPRM1FASNKCNH2SSTR5
SCHEMBL23015954 0.81 SIGMAR1 (0.52) SIGMAR1OPRM1FASNCHRM2CHRM3
SCHEMBL15544918 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL23015964 0.80 SIGMAR1 (0.67) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15543324 0.79 FASN (0.40) SIGMAR1OPRM1FASNKCNH2
SCHEMBL23015951 0.79 FASN (0.53) SIGMAR1OPRM1FASN
SCHEMBL4536273 0.79 FASN (0.57) 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