SCHEMBL15544977

SCHEMBL15544977

O=C1COC2(CCN(Cc3ccc(-c4ccc5nccnc5c4)cc3F)CC2)CN1C1CC1

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FASN P49327 5/20 0.51
OPRM1 P35372 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
HSD11B1 P28845 1/20 0.35
CHRM1 P11229 6/20 0.34
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
ACVRL1 P37023 2/20 0.32
ACVR1 Q04771 2/20 0.32
BMPR1A P36894 1/20 0.32
KDM1A O60341 1/20 0.32
IDH1 O75874 1/20 0.32
PIK3CD O00329 1/20 0.32
SSTR5 P35346 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
SCHEMBL14842076 0.90 FASN (0.65) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15543468 0.90 FASN (0.57) FASNOPRM1SIGMAR1CHRM1KDM1A
SCHEMBL15581977 0.86 FASN (0.43) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15543780 0.86 FASN (0.51) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15582348 0.86 FASN (0.45) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15543784 0.86 FASN (0.50) FASNOPRM1SIGMAR1HSD11B1ALDH1A1
SCHEMBL15544827 0.86 FASN (0.49) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15543457 0.85 FASN (0.49) FASNOPRM1SIGMAR1HSD11B1ALDH1A1
SCHEMBL15543524 0.85 FASN (0.49) FASNOPRM1SIGMAR1HSD11B1CHRM1
SCHEMBL15544244 0.85 FASN (0.49) FASNOPRM1SIGMAR1HSD11B1CHRM1

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 3 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 claimed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed
WO-2014008223-A2 FATTY ACID SYNTHASE INHIBITORS GLAXOSMITHKLINE LLC (US) 2014-01-09 WO disclosed