SCHEMBL16149446

SCHEMBL16149446

C[C@H]1C(Nc2ncc(C(F)(F)F)cn2)CCCN1C(=O)c1ccccc1-n1nccn1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 1.00
HCRTR2 O43614 17/20 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
SCHEMBL16030706 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16030703 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078137 1.00 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148270 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030303 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030823 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030302 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16078116 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030226 0.90 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16030224 0.90 HCRTR2 (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 4 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
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