SCHEMBL15544845

SCHEMBL15544845

[2H]C([2H])(c1ccc(Br)cc1F)N1CCC2(CC1)CN(C1CC1)C(=O)CO2

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.39
OPRM1 P35372 11/20 0.36
SIGMAR1 Q99720 5/20 0.34
FPR3 P25089 2/20 0.34
FPR2 P25090 2/20 0.34
KCNH2 Q12809 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP3A4 P08684 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32

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) FASNOPRM1SIGMAR1FPR3FPR2
SCHEMBL14720324 0.88 SIGMAR1 (0.44) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15543324 0.83 FASN (0.40) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15544449 0.82 FASN (0.40) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15556185 0.81 FASN (0.43) FASNOPRM1SIGMAR1
SCHEMBL14842007 0.81 FASN (0.40) FASNOPRM1SIGMAR1FPR3FPR2
SCHEMBL15544705 0.80 FASN (0.40) FASNOPRM1SIGMAR1KCNH2
SCHEMBL15543650 0.80 OPRM1 (0.42) FASNOPRM1SIGMAR1KCNH2
SCHEMBL4534373 0.78 FASN (0.51) FASNFPR2
SCHEMBL14720191 0.77 OPRM1 (0.46) FASNOPRM1

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