SCHEMBL18697641

SCHEMBL18697641

Cc1cnc(N[C@@H]2CCCN(C(=O)c3ccccc3-n3nccn3)C2)nc1

nearest known ligand 0.66

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 20/20 0.66
HCRTR1 O43613 16/20 0.66

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
SCHEMBL20145146 1.00 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144741 0.90 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL20144820 0.90 HCRTR2 (0.65) HCRTR2HCRTR1
SCHEMBL20144751 0.89 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL18697745 0.89 HCRTR2 (0.67) HCRTR2HCRTR1
SCHEMBL20144896 0.88 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL18697746 0.88 HCRTR1 (0.67) HCRTR2HCRTR1
SCHEMBL18697815 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144816 0.86 HCRTR2 (0.66) HCRTR2HCRTR1
SCHEMBL20144946 0.86 HCRTR2 (0.67) 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