SCHEMBL16149261

SCHEMBL16149261

COc1c(F)cccc1C(=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
HCRTR2 O43614 12/20 1.00
HCRTR1 O43613 11/20 0.75

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
SCHEMBL16078124 1.00 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030662 1.00 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030664 1.00 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031575 1.00 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031268 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16033360 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031266 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078136 0.88 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16148402 0.85 HCRTR1 (1.00) HCRTR2HCRTR1
SCHEMBL18734846 0.83 HCRTR1 (1.00) HCRTR2HCRTR1

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