SCHEMBL20145060

SCHEMBL20145060

COc1ccccc1C(=O)N1CCC[C@@H](Nc2ccc(Br)cn2)[C@H]1C

nearest known ligand 0.83

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 16/20 0.83
HCRTR1 O43613 9/20 0.83

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
SCHEMBL16032435 0.91 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL20144887 0.91 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078132 0.91 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16032973 0.91 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16078136 0.85 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031266 0.85 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16033360 0.85 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16031268 0.85 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16030272 0.83 HCRTR2 (1.00) HCRTR2HCRTR1
SCHEMBL16148100 0.83 HCRTR2 (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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970207-B1 SUBSTITUTED PIPERIDINE COMPOUNDS AND THEIR USE AS OREXIN RECEPTOR MODULATORS JANSSEN PHARMACEUTICA NV (BE) 2018-05-16 EP disclosed