SCHEMBL16149263

SCHEMBL16149263

COc1ccc(-n2nccn2)c(C(=O)N2CCCC(Nc3cnc(C(F)(F)F)cn3)C2C)c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 1.00
HCRTR2 O43614 16/20 0.88

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
SCHEMBL16148488 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16032714 0.94 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16032144 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078118 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148244 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16032146 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031139 0.90 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL17521753 0.90 HCRTR1 (0.88) HCRTR1HCRTR2
SCHEMBL16147961 0.87 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031164 0.87 HCRTR1 (1.00) HCRTR1HCRTR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970207-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS Janssen Pharmaceutica, N.V. (BE) 2016-01-20 EP claimed
WO-2014165065-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO claimed