SCHEMBL20145268

SCHEMBL20145268

CCOc1ccc(C)nc1C(=O)N1CCC[C@@H](NC2/C=C\C(C(F)(F)F)CCN(C)C2)C1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 8/20 0.45
HCRTR2 O43614 13/20 0.44

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
SCHEMBL20144974 0.76 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20145031 0.75 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20144824 0.75 HCRTR2 (0.70) HCRTR1HCRTR2
SCHEMBL20145088 0.73 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL20144768 0.70 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL16147703 0.62 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031606 0.61 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16149157 0.61 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078115 0.61 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16031603 0.61 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 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