SCHEMBL15544232

SCHEMBL15544232

CC(C)N1CC2(CCN(Cc3ncc(-c4ccc5cccnc5c4)cc3F)CC2)OCC1=O

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
FASN P49327 7/20 0.46
EGLN1 Q9GZT9 5/20 0.38
ROCK2 O75116 1/20 0.34
SIGMAR1 Q99720 2/20 0.34
OPRM1 P35372 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2B Q13224 1/20 0.34
KDM5B Q9UGL1 1/20 0.33
CHRM1 P11229 2/20 0.32
CDK6 Q00534 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
SCHEMBL15544184 0.89 FASN (0.46) FASNEGLN1ROCK2SIGMAR1OPRM1
SCHEMBL15543586 0.87 FASN (0.63) FASNEGLN1ROCK2SIGMAR1OPRM1
SCHEMBL15544134 0.86 FASN (0.45) FASNEGLN1ROCK2SIGMAR1OPRM1
SCHEMBL15544190 0.79 SIGMAR1 (0.36) SIGMAR1OPRM1
SCHEMBL15543899 0.79 FASN (0.47) FASNEGLN1SIGMAR1OPRM1CHRM1
SCHEMBL15544453 0.78 FASN (0.41) FASNEGLN1SIGMAR1OPRM1GRIN1
SCHEMBL15581999 0.78 FASN (0.47) FASNEGLN1SIGMAR1OPRM1CHRM1
SCHEMBL4537573 0.77 FASN (0.74) FASNKDM5B
SCHEMBL15544217 0.77 FASN (0.48) FASNEGLN1SIGMAR1OPRM1GRIN1
SCHEMBL15543513 0.76 FASN (0.46) FASNEGLN1ROCK2SIGMAR1OPRM1

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