SCHEMBL1572085

SCHEMBL1572085

Cc1nc(C(=O)N2[C@H](CNC(=O)c3cccc4c3OC(C)(C)C4)C[C@@H]3C[C@@H]32)c(-c2cccc(Cl)c2)s1

nearest known ligand 0.53

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.53
HCRTR2 O43614 17/20 0.53
PKM P14618 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41

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
SCHEMBL1572525 0.93 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1572380 0.93 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1571806 0.92 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1571999 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572412 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL1572136 0.84 HCRTR1 (0.46) HCRTR1HCRTR2PKMNPSR1
SCHEMBL1572548 0.84 HCRTR1 (0.46) HCRTR1HCRTR2PKMNPSR1
SCHEMBL1339660 0.84 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1571802 0.82 HCRTR1 (0.62) HCRTR1HCRTR2
SCHEMBL1572250 0.82 HCRTR1 (0.54) 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