SCHEMBL18697648

SCHEMBL18697648

Cc1cccc(C(=O)N2CCC[C@@H](Nc3ccc(C(F)(F)F)cn3)C2)c1-n1nccn1

nearest known ligand 0.70

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.70
HCRTR2 O43614 15/20 0.70

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
SCHEMBL20144838 1.00 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144850 0.86 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL1835677 0.84 KDM4E (0.52) HCRTR1HCRTR2
SCHEMBL20145007 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144810 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL18697657 0.83 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL16030687 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16148098 0.82 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18697669 0.82 HCRTR1 (0.70) HCRTR1HCRTR2
SCHEMBL20144995 0.82 HCRTR1 (0.70) 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