SCHEMBL20145003

SCHEMBL20145003

Cc1ccc(-c2ncccn2)c(C(=O)N2CCCC(Oc3ccc(C(F)(F)F)cn3)C2)n1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 16/20 0.70
HCRTR2 O43614 8/20 0.66

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
SCHEMBL20144950 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697848 0.89 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145267 0.88 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL20144790 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL18697752 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20145047 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL20144910 0.86 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697846 0.86 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL20144918 0.85 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20145129 0.85 HCRTR1 (0.70) 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