SCHEMBL20144733

SCHEMBL20144733

Cc1cc(C)nc(NC2CCCN(C(=O)c3cc(F)ccc3-n3nccn3)C2)n1

nearest known ligand 0.68

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.68
HCRTR2 O43614 19/20 0.68
GFER P55789 1/20 0.54

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
SCHEMBL18697649 1.00 HCRTR1 (0.68) HCRTR1HCRTR2GFER
SCHEMBL18697814 0.93 HCRTR1 (0.68) HCRTR1HCRTR2GFER
SCHEMBL20144933 0.93 HCRTR1 (0.68) HCRTR1HCRTR2GFER
SCHEMBL18697815 0.88 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144816 0.88 HCRTR2 (0.66) HCRTR1HCRTR2
SCHEMBL20144846 0.83 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL16031853 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16078108 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL16031855 0.81 HCRTR2 (1.00) HCRTR1HCRTR2
SCHEMBL20144819 0.79 HCRTR1 (0.69) 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