SCHEMBL15543199

SCHEMBL15543199

N#Cc1cnc2cc(-c3cnc(CN4CCC5(CC4)CN(C4CC4)C(=O)CO5)c(F)c3)ccc2c1

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.47
LTA4H P09960 1/20 0.32
AKT1 P31749 1/20 0.32
USP30 Q70CQ3 1/20 0.32
SSTR5 P35346 1/20 0.31
HSD11B1 P28845 2/20 0.31
OPRM1 P35372 1/20 0.31
SIGMAR1 Q99720 1/20 0.31
MTOR P42345 1/20 0.30
CCNA2 P20248 1/20 0.30
CDK2 P24941 1/20 0.30
CDK5 Q00535 1/20 0.30
CDK5R1 Q15078 1/20 0.30
KCNJ1 P48048 1/20 0.30
OTUD7B Q6GQQ9 2/20 0.30
ADORA2A P29274 1/20 0.30
ADORA1 P30542 1/20 0.30

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
SCHEMBL15543479 0.91 FASN (0.48) FASNLTA4HAKT1HSD11B1OPRM1
SCHEMBL15543310 0.89 FASN (0.48) FASNLTA4HSSTR5OPRM1SIGMAR1
SCHEMBL15544217 0.89 FASN (0.48) FASNLTA4HOPRM1SIGMAR1
SCHEMBL15582343 0.89 FASN (0.38) FASNHSD11B1
SCHEMBL15544250 0.87 FASN (0.47) FASNLTA4HSSTR5MTOR
SCHEMBL15543586 0.87 FASN (0.63) FASNOPRM1SIGMAR1
SCHEMBL14842144 0.83 FASN (0.45) FASNHSD11B1CCNA2CDK2CDK5
SCHEMBL15543780 0.81 FASN (0.51) FASNSSTR5HSD11B1OPRM1SIGMAR1
SCHEMBL15543895 0.80 FASN (0.49) FASNLTA4HSSTR5OPRM1SIGMAR1
SCHEMBL15543457 0.80 FASN (0.49) FASNSSTR5HSD11B1OPRM1SIGMAR1

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