SCHEMBL20144739

SCHEMBL20144739

O=C(c1cccc(F)c1-n1nccn1)N1CCCC(Oc2ncc(C(F)(F)F)cc2F)C1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.69
HCRTR2 O43614 7/20 0.55

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
SCHEMBL18697643 1.00 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144891 0.93 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL18697751 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144978 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144753 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL18697840 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL20145010 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144853 0.87 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145012 0.86 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20144962 0.86 HCRTR1 (0.69) 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