SCHEMBL15544918

SCHEMBL15544918

O=C1COC2(CCN(Cc3ccc(Br)nc3)CC2)CN1C1CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 5/20 0.47
OPRM1 P35372 3/20 0.47
TRPV6 Q9H1D0 1/20 0.45
FASN P49327 4/20 0.42
KCNH2 Q12809 2/20 0.39
CACNA1I Q9P0X4 1/20 0.39
CHRM2 P08172 5/20 0.36
CHRM3 P20309 5/20 0.36
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
MGLL Q99685 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
SCHEMBL15544411 0.86 SIGMAR1 (0.52) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL23015954 0.81 SIGMAR1 (0.52) SIGMAR1OPRM1FASNCHRM2CHRM3
SCHEMBL15544468 0.81 FASN (0.42) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL23015964 0.81 SIGMAR1 (0.67) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15544787 0.80 SIGMAR1 (0.44) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15543949 0.80 SIGMAR1 (0.47) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL15544532 0.80 SIGMAR1 (0.44) SIGMAR1OPRM1FASNKCNH2CHRM2
SCHEMBL23015951 0.80 FASN (0.53) SIGMAR1OPRM1FASN
SCHEMBL4540317 0.78 FASN (0.61) FASN
SCHEMBL15543473 0.78 FASN (0.43) SIGMAR1OPRM1FASNKCNH2

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