SCHEMBL1571696

SCHEMBL1571696

COc1ccc(C(=O)NC[C@@H]2C[C@H]3C[C@@H]3N2C(=O)c2nc(C)sc2-c2cccc(C)c2)c(OC)c1

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.64
HCRTR2 O43614 18/20 0.64

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
SCHEMBL1571698 1.00 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571692 1.00 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571588 0.94 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571585 0.94 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571586 0.94 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571532 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1571534 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1571536 0.92 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1572011 0.92 HCRTR1 (0.66) HCRTR1HCRTR2
SCHEMBL1572013 0.92 HCRTR1 (0.66) 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-2094690-B1 2-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES AS OREXIN RECEPTOR ANTAGONISTS ACTELION PHARMACEUTICALS LTD (CH) 2011-04-13 EP disclosed