SCHEMBL15544217

SCHEMBL15544217

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

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
FASN P49327 4/20 0.48
CTSS P25774 4/20 0.33
GRIN2B Q13224 6/20 0.33
GRIN1 Q05586 5/20 0.33
EGLN1 Q9GZT9 1/20 0.32
LTA4H P09960 1/20 0.32
OPRM1 P35372 1/20 0.32
SIGMAR1 Q99720 1/20 0.32
FGFR1 P11362 1/20 0.31
FGFR2 P21802 1/20 0.31
FGFR3 P22607 1/20 0.31
NPY5R Q15761 2/20 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
SCHEMBL15543310 0.91 FASN (0.48) FASNCTSSLTA4HOPRM1SIGMAR1
SCHEMBL15543524 0.91 FASN (0.49) FASNOPRM1SIGMAR1
SCHEMBL15544250 0.90 FASN (0.47) FASNGRIN2BGRIN1LTA4H
SCHEMBL15543199 0.89 FASN (0.47) FASNLTA4HOPRM1SIGMAR1
SCHEMBL15543586 0.88 FASN (0.63) FASNCTSSGRIN2BGRIN1EGLN1
SCHEMBL15543780 0.83 FASN (0.51) FASNOPRM1SIGMAR1NPY5R
SCHEMBL14842023 0.82 FASN (0.46) FASNGRIN2BGRIN1NPY5R
SCHEMBL15543588 0.81 FASN (0.48) FASNLTA4HOPRM1SIGMAR1
SCHEMBL15544244 0.81 FASN (0.49) FASNOPRM1SIGMAR1NPY5R
SCHEMBL15543895 0.81 FASN (0.49) FASNLTA4HOPRM1SIGMAR1NPY5R

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