SCHEMBL20144803

SCHEMBL20144803

Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(Nc3cc(C)nc(C(F)(F)F)n3)C2)c1

nearest known ligand 0.71

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 17/20 0.71
HCRTR2 O43614 14/20 0.71
GFER P55789 2/20 0.46
KMT2A Q03164 1/20 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
SCHEMBL20144875 0.93 HCRTR1 (0.71) HCRTR1HCRTR2GFER
SCHEMBL18697652 0.84 HCRTR1 (0.67) HCRTR1HCRTR2GFERKMT2A
SCHEMBL20144767 0.84 HCRTR1 (0.67) HCRTR1HCRTR2GFERKMT2A
SCHEMBL18697728 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144802 0.84 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL16030548 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16078110 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16030549 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148114 0.83 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL1671224 0.76 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