SCHEMBL20145114

SCHEMBL20145114

O=C(c1ccccc1-c1ncc(F)cn1)N1CCC[C@@H](Oc2cnc(C(F)(F)F)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 18/20 0.68
HCRTR2 O43614 9/20 0.65

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
SCHEMBL20144864 1.00 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144859 0.93 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL20145159 0.93 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL18697789 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144747 0.88 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20145102 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20144726 0.84 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL18697569 0.84 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL20145109 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL20145020 0.84 HCRTR1 (0.61) 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