SCHEMBL1572279

SCHEMBL1572279

CC(=O)Nc1cccc(-c2sc(C)nc2C(=O)N2C(CNC(=O)c3cccc4cccnc34)CC3C[C@@H]32)c1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.59
HCRTR2 O43614 17/20 0.58

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
SCHEMBL1571739 1.00 HCRTR1 (0.59) HCRTR1HCRTR2
SCHEMBL1571765 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1573355 0.91 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1572549 0.90 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL1571683 0.90 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL1571802 0.89 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1572108 0.88 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1572047 0.88 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1571756 0.87 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1572157 0.87 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 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