SCHEMBL8167758

SCHEMBL8167758

Cc1ccc(-n2nccn2)c(C(=O)N2CC[C@@H](C)[C@H]2CNc2nc3ncccc3o2)c1

nearest known ligand 0.73

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.73
HCRTR2 O43614 10/20 0.73

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
SCHEMBL2498037 0.85 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL2500874 0.85 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL18734657 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16277882 0.84 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL16284010 0.82 HCRTR1 (0.90) HCRTR1HCRTR2
SCHEMBL16277955 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15184183 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18734896 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL18734704 0.79 HCRTR1 (1.00) HCRTR1HCRTR2
SCHEMBL15184179 0.79 HCRTR1 (1.00) 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
WO-2008150364-A1 CYCLOPROPYL PYRROLIDINE OREXIN RECEPTOR ANTAGONISTS MERCK & CO., INC. (US) 2008-12-11 WO disclosed