SCHEMBL1572222

SCHEMBL1572222

Cc1cccc(-c2sc(C)nc2C(=O)N2C(CN)CC3C[C@@H]32)c1

nearest known ligand 0.63

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.63
HCRTR2 O43614 20/20 0.63

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
SCHEMBL1571801 1.00 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL13254752 0.92 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1571946 0.91 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1571652 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572171 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572219 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571818 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572510 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572145 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1572140 0.88 HCRTR1 (0.53) 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