SCHEMBL16149157

SCHEMBL16149157

CCOc1ccc(C)nc1C(=O)N1CCCC(Nc2ccc(C(F)(F)F)cn2)[C@@H]1C

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 1.00
HCRTR2 O43614 14/20 1.00

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
SCHEMBL16078115 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031606 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031603 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16147703 0.91 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031595 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16030579 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148647 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16030577 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078133 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16147940 0.83 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 disclosed
WO-2014165065-A1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2014-10-09 WO disclosed