SCHEMBL15544258

SCHEMBL15544258

Cc1cc(-c2ccc3cc[nH]c3c2)ccc1CN1CCC2(CC1)CN(C1CC1)C(=O)CO2

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FASN P49327 6/20 0.44
OPRM1 P35372 4/20 0.35
SIGMAR1 Q99720 3/20 0.35
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
HSD17B10 Q99714 1/20 0.33
KCNH2 Q12809 4/20 0.32
LRRK2 Q5S007 1/20 0.32
OPRL1 P41146 1/20 0.32
BRD4 O60885 1/20 0.32
CREBBP Q92793 1/20 0.31
CHRNA7 P36544 3/20 0.31
S1PR1 P21453 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
SCHEMBL15555329 0.90 FASN (0.44) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15555919 0.90 FASN (0.46) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15581799 0.88 FASN (0.48) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15557104 0.86 FASN (0.41) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15556670 0.84 FASN (0.44) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15543896 0.84 FASN (0.41) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15556185 0.83 FASN (0.43) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL4560948 0.83 FASN (0.55) FASNOPRM1KDM4EALDH1A1KCNH2
SCHEMBL15543403 0.82 FASN (0.47) FASNOPRM1SIGMAR1KDM4EALDH1A1
SCHEMBL15582392 0.82 FASN (0.38) FASNOPRM1SIGMAR1ALDH1A1

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