SCHEMBL2498037

SCHEMBL2498037

Cc1ccc(-n2nccn2)c(C(=O)N2CC3CC3C2CNc2nc3ncccc3o2)c1

nearest known ligand 0.57

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.57
HCRTR2 O43614 13/20 0.57

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
SCHEMBL2500874 1.00 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2503733 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL2497343 0.89 HCRTR1 (0.71) HCRTR1HCRTR2
SCHEMBL2501610 0.88 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2503110 0.88 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL21018765 0.88 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL8167758 0.85 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL2519128 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL2502208 0.84 HCRTR1 (0.72) HCRTR1HCRTR2
SCHEMBL2495394 0.79 HCRTR1 (0.61) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2150115-B1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP claimed
US-8030495-B2 Cyclopropyl pyrrolidine orexin receptor antagonists MERCK SHARP & DOHME CORP. 2011-10-04 US claimed
EP-2150115-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS Merck and Co., Inc. (US) 2010-02-10 EP claimed
WO-2008150364-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-11 WO claimed
EP-2150115-B1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK SHARP & DOHME (US) 2013-09-18 EP disclosed