SCHEMBL18697644

SCHEMBL18697644

O=C(c1cccc(F)c1-c1ncccn1)N1CCC[C@@H](Nc2ccc(C(F)(F)F)cn2)C1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.68
HCRTR2 O43614 14/20 0.64

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
SCHEMBL20144764 1.00 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20145058 0.90 HCRTR1 (0.68) HCRTR1HCRTR2
SCHEMBL20144782 0.89 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145041 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20144969 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL20144748 0.84 HCRTR2 (0.69) HCRTR1HCRTR2
SCHEMBL18697634 0.84 HCRTR2 (0.69) HCRTR1HCRTR2
SCHEMBL20144885 0.83 HCRTR1 (0.69) HCRTR1HCRTR2
SCHEMBL20145008 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL20144966 0.82 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
US-9611251-B2 Substituted piperidine compounds and their use as orexin receptor modulators JANSSEN PHARMACEUTICA NV (BE) 2017-04-04 US disclosed