SCHEMBL20145039

SCHEMBL20145039

O=C(c1cccc(F)c1-c1ncc(F)cn1)N1CCC[C@@H](Oc2ncc(C(F)(F)F)cc2F)C1

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.61
HCRTR2 O43614 8/20 0.58

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
SCHEMBL20145081 1.00 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20145012 0.94 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144962 0.94 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145026 0.94 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL20144888 0.93 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL18697750 0.93 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL18697759 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144841 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144826 0.87 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL18697748 0.87 HCRTR1 (0.66) 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