SCHEMBL4589045

SCHEMBL4589045

Cc1nc(C(=O)N2CCCC[C@@H]2Cc2nc(-c3ccc(F)cc3)co2)c(-c2ccc(F)cc2)s1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.60
HCRTR2 O43614 15/20 0.60
TSPO P30536 1/20 0.52
OPRK1 P41145 1/20 0.52
HTR2B P41595 1/20 0.52
FFAR4 Q5NUL3 1/20 0.52

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
SCHEMBL1777248 1.00 HCRTR1 (0.60) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777997 0.97 HCRTR1 (0.64) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777324 0.94 HCRTR1 (0.63) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777326 0.94 HCRTR1 (0.63) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777780 0.93 HCRTR1 (0.60) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1779459 0.91 HCRTR1 (0.58) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1778949 0.91 HCRTR1 (0.61) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777031 0.91 HCRTR1 (0.59) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777454 0.90 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B
SCHEMBL1777458 0.90 HCRTR1 (0.56) HCRTR1HCRTR2TSPOOPRK1HTR2B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7423052-B2 Piperidine compounds for use as orexin receptor antagoinst SMITHKLINE BEECHAM P.L.C. (GB) 2008-09-09 US disclosed