SCHEMBL1571863

SCHEMBL1571863

Cc1nc2sccn2c1C(=O)NCC1CC2C[C@@H]2N1C(=O)c1ccccc1-c1csc(N)n1

nearest known ligand 0.58

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 5/20 0.58
HCRTR2 O43614 5/20 0.58
MAPK1 P28482 2/20 0.34
ALOX15 P16050 1/20 0.34

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
SCHEMBL1572123 1.00 HCRTR1 (0.58) HCRTR1HCRTR2MAPK1ALOX15
SCHEMBL1572277 0.88 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1572023 0.88 HCRTR1 (0.60) HCRTR1HCRTR2MAPK1
SCHEMBL1571443 0.86 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1339652 0.82 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL1571853 0.81 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL1572087 0.81 HCRTR2 (0.58) HCRTR1HCRTR2
SCHEMBL1572097 0.79 HCRTR1 (0.61) HCRTR1HCRTR2MAPK1
SCHEMBL1572160 0.79 HCRTR1 (0.61) HCRTR1HCRTR2MAPK1
SCHEMBL1572066 0.78 HSD17B10 (0.38) HCRTR1HCRTR2ALOX15

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