SCHEMBL1571999

SCHEMBL1571999

Cc1nc(C(=O)N2C(CNC(=O)c3cccc4c3OCCO4)CC3C[C@@H]32)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 18/20 0.55

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
SCHEMBL1572412 1.00 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1571931 0.93 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1571654 0.91 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572250 0.91 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1571533 0.89 HCRTR1 (0.57) HCRTR1HCRTR2
SCHEMBL1571559 0.88 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL924706 0.86 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1571910 0.86 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL983476 0.86 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572067 0.86 HCRTR1 (0.55) 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