SCHEMBL20040294

SCHEMBL20040294

Cc1nc(C(=O)N2CCC[C@H](C)C2CN)c(-c2ccc(F)cc2)s1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.71
HCRTR2 O43614 9/20 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
SCHEMBL17009311 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16277594 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16277711 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16282484 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL15184281 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL15173477 1.00 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL16277345 0.91 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL15174031 0.91 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL15174166 0.90 HCRTR1 (0.67) HCRTR1HCRTR2
SCHEMBL16278209 0.90 HCRTR1 (0.67) 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-2811997-B1 SUBSTITUTED PROLINES/PIPERIDINES AS OREXIN RECEPTOR ANTAGONISTS EOLAS THERAPEUTICS INC (US) 2018-04-11 EP disclosed