SCHEMBL20145012

SCHEMBL20145012

O=C(c1cccc(F)c1-c1ncccn1)N1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2F)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.69
HCRTR2 O43614 9/20 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
SCHEMBL20144962 1.00 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145081 0.94 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20145039 0.94 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20144791 0.93 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL18697758 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144914 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145097 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20144770 0.88 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145071 0.88 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL20145026 0.88 HCRTR1 (0.56) 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