SCHEMBL15544007

SCHEMBL15544007

CC(=O)Nc1cnc2cc(-c3ccc(CN4CCC5(CC4)CN(C4CC4)C(=O)CO5)c(F)c3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.46
MOK Q9UQ07 6/20 0.38
HSD11B1 P28845 1/20 0.36
MCHR1 Q99705 2/20 0.35
KCNH2 Q12809 1/20 0.35
HTR1A P08908 1/20 0.35
AXL P30530 2/20 0.35
MERTK Q12866 2/20 0.35
HTR2C P28335 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
ABL1 P00519 1/20 0.34
NPY5R Q15761 1/20 0.34

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
SCHEMBL15544105 0.89 FASN (0.49) FASNHSD11B1MCHR1AXLMERTK
SCHEMBL15544244 0.88 FASN (0.49) FASNHSD11B1AXLMERTKNPY5R
SCHEMBL15543524 0.88 FASN (0.49) FASNHSD11B1AXLMERTK
SCHEMBL15543780 0.88 FASN (0.51) FASNHSD11B1NPY5R
SCHEMBL15543588 0.87 FASN (0.48) FASNHSD11B1MCHR1AXLMERTK
SCHEMBL15543457 0.86 FASN (0.49) FASNHSD11B1AXLMERTK
SCHEMBL15543128 0.86 FASN (0.48) FASNMOKHSD11B1
SCHEMBL15543479 0.85 FASN (0.48) FASNHSD11B1
SCHEMBL15543784 0.84 FASN (0.50) FASNHSD11B1
SCHEMBL14842076 0.83 FASN (0.65) FASNHSD11B1

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