SCHEMBL1572572

SCHEMBL1572572

Cc1nc(C(=O)N2[C@H](CNc3ncc(Br)cn3)C[C@@H]3C[C@@H]32)c(-c2cccc(F)c2)s1

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.54
HCRTR2 O43614 13/20 0.54

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
SCHEMBL1571807 0.92 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1571951 0.91 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1571871 0.91 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572421 0.90 HCRTR1 (0.63) HCRTR1HCRTR2
SCHEMBL1572098 0.90 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL1572387 0.90 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571789 0.90 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL1572083 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1572612 0.89 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL1572033 0.88 HCRTR1 (0.50) 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