SCHEMBL14842007

SCHEMBL14842007

O=C1COC2(CCN(Cc3c(F)cc(Br)cc3F)CC2)CN1C1CC1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.40
SIGMAR1 Q99720 5/20 0.39
OPRM1 P35372 5/20 0.39
KCNH2 Q12809 1/20 0.34
PDE2A O00408 1/20 0.31
FPR3 P25089 1/20 0.30
FPR2 P25090 1/20 0.30
MGLL Q99685 1/20 0.30

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
SCHEMBL14842247 0.89 FASN (0.38) FASNSIGMAR1OPRM1KCNH2
SCHEMBL14842036 0.86 FASN (0.36) FASN
SCHEMBL14841999 0.86 OPRM1 (0.45) FASNSIGMAR1OPRM1FPR3FPR2
SCHEMBL15582351 0.85 FASN (0.45) FASNSIGMAR1OPRM1KCNH2MGLL
SCHEMBL15543618 0.85 FASN (0.40) FASNSIGMAR1OPRM1KCNH2
SCHEMBL15582388 0.84 SIGMAR1 (0.42) FASNSIGMAR1OPRM1KCNH2
SCHEMBL15543738 0.83
SCHEMBL15556993 0.83 FASN (0.36) FASNSIGMAR1OPRM1KCNH2
SCHEMBL15582350 0.83 FASN (0.39) FASNSIGMAR1OPRM1KCNH2MGLL
SCHEMBL15581812 0.82 FASN (0.42) FASNSIGMAR1OPRM1KCNH2

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
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
WO-2013052716-A1 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2013-04-11 WO disclosed