SCHEMBL18697663

SCHEMBL18697663

O=C(c1c(F)cccc1-n1nccn1)N1CCC[C@@H](Oc2ccc(F)cn2)C1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.55
HCRTR1 O43613 18/20 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
SCHEMBL20144839 1.00 HCRTR2 (0.55) HCRTR2HCRTR1
SCHEMBL20144861 0.90 HCRTR1 (0.63) HCRTR2HCRTR1
SCHEMBL20145023 0.89 HCRTR2 (0.59) HCRTR2HCRTR1
SCHEMBL20145275 0.87 HCRTR2 (0.69) HCRTR2HCRTR1
SCHEMBL20144902 0.86 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL20145076 0.85 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL20144943 0.85 HCRTR1 (0.55) HCRTR2HCRTR1
SCHEMBL20144977 0.84 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL18697793 0.84 HCRTR1 (0.54) HCRTR2HCRTR1
SCHEMBL20144931 0.82 HCRTR1 (0.55) HCRTR2HCRTR1

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