SCHEMBL14720324

SCHEMBL14720324

O=C1COC2(CCN(CCc3ccc(Br)cc3F)CC2)CN1C1CC1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 9/20 0.44
OPRM1 P35372 7/20 0.44
KCNH2 Q12809 6/20 0.44
HTR2A P28223 7/20 0.41
DRD2 P14416 6/20 0.41
HTR2C P28335 5/20 0.41
FASN P49327 3/20 0.39

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
SCHEMBL14841999 0.90 OPRM1 (0.45) SIGMAR1OPRM1FASN
SCHEMBL15544845 0.88 FASN (0.39) SIGMAR1OPRM1KCNH2FASN
SCHEMBL14720314 0.83 SIGMAR1 (0.56) SIGMAR1OPRM1KCNH2FASN
SCHEMBL15544449 0.82 FASN (0.40) SIGMAR1OPRM1KCNH2FASN
SCHEMBL14842007 0.81 FASN (0.40) SIGMAR1OPRM1KCNH2FASN
SCHEMBL15544705 0.80 FASN (0.40) SIGMAR1OPRM1KCNH2FASN
SCHEMBL15543650 0.80 OPRM1 (0.42) SIGMAR1OPRM1KCNH2DRD2FASN
SCHEMBL14720426 0.79 FASN (0.64) SIGMAR1OPRM1KCNH2HTR2ADRD2
SCHEMBL4534373 0.78 FASN (0.51) FASN
SCHEMBL14720191 0.77 OPRM1 (0.46) OPRM1FASN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2744333-A1 FATTY ACID SYNTHASE INHIBITORS Glaxosmithkline Intellectual Property (No. 2) Limited (GB) 2014-06-25 EP disclosed
WO-2013028447-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-02-28 WO disclosed