SCHEMBL1571853

SCHEMBL1571853

Cc1nc2sccn2c1C(=O)NCC1CC2C[C@@H]2N1C(=O)c1ccccc1-n1cccn1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR2 O43614 9/20 0.58
HCRTR1 O43613 7/20 0.58

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
SCHEMBL1572087 1.00 HCRTR2 (0.58) HCRTR2HCRTR1
SCHEMBL1572023 0.83 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL1572277 0.83 HCRTR1 (0.60) HCRTR2HCRTR1
SCHEMBL1340991 0.82 HCRTR2 (0.54) HCRTR2HCRTR1
SCHEMBL1572123 0.81 HCRTR1 (0.58) HCRTR2HCRTR1
SCHEMBL1571863 0.81 HCRTR1 (0.58) HCRTR2HCRTR1
SCHEMBL1571443 0.80 HCRTR1 (0.64) HCRTR2HCRTR1
SCHEMBL1572160 0.79 HCRTR1 (0.61) HCRTR2HCRTR1
SCHEMBL1572097 0.79 HCRTR1 (0.61) HCRTR2HCRTR1
SCHEMBL1571300 0.75 HCRTR1 (0.58) HCRTR2HCRTR1

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