SCHEMBL1572887

SCHEMBL1572887

CN(C)c1nc(C(=O)N2[C@H](CN)C[C@@H]3C[C@@H]32)c(-c2ccccc2)s1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.41
HCRTR2 O43614 19/20 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
SCHEMBL1572510 0.87 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL1572886 0.85 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1572885 0.85 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL1572054 0.83 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL982926 0.80 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL1764517 0.78 KDM4E (0.48) HCRTR1HCRTR2
SCHEMBL1764519 0.78 KDM4E (0.48) HCRTR1HCRTR2
SCHEMBL13254772 0.78 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL3412370 0.77 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL1572222 0.77 HCRTR1 (0.63) 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 claimed