SCHEMBL15544244

SCHEMBL15544244

O=C1COC2(CCN(Cc3ccc(-c4ccc5cc(O)cnc5c4)cc3F)CC2)CN1C1CC1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.49
HSD11B1 P28845 1/20 0.34
ACVRL1 P37023 3/20 0.33
ACVR1 Q04771 3/20 0.33
SSTR5 P35346 3/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPK1 P28482 1/20 0.33
OPRM1 P35372 1/20 0.33
SIGMAR1 Q99720 1/20 0.33
BMPR1A P36894 2/20 0.32
AXL P30530 2/20 0.32
MERTK Q12866 2/20 0.32
JAK2 O60674 2/20 0.32
TYK2 P29597 2/20 0.32
JAK1 P23458 1/20 0.32
JAK3 P52333 1/20 0.32
NPY5R Q15761 1/20 0.31
IDH1 O75874 1/20 0.31
CHRM1 P11229 1/20 0.31

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
SCHEMBL15543895 0.92 FASN (0.49) FASNSSTR5OPRM1SIGMAR1JAK2
SCHEMBL15543780 0.92 FASN (0.51) FASNHSD11B1ACVRL1ACVR1SSTR5
SCHEMBL15543524 0.91 FASN (0.49) FASNHSD11B1ACVRL1ACVR1ALDH1A1
SCHEMBL15543457 0.91 FASN (0.49) FASNHSD11B1ACVRL1ACVR1SSTR5
SCHEMBL15543479 0.89 FASN (0.48) FASNHSD11B1ACVRL1ACVR1ALDH1A1
SCHEMBL15543588 0.89 FASN (0.48) FASNHSD11B1ACVRL1ACVR1SSTR5
SCHEMBL15543128 0.88 FASN (0.48) FASNHSD11B1ACVRL1ACVR1SSTR5
SCHEMBL15543784 0.88 FASN (0.50) FASNHSD11B1ACVRL1ACVR1ALDH1A1
SCHEMBL15544007 0.88 FASN (0.46) FASNHSD11B1AXLMERTKNPY5R
SCHEMBL14842076 0.87 FASN (0.65) FASNHSD11B1OPRM1SIGMAR1CHRM1

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