SCHEMBL1572349

SCHEMBL1572349

O=C(NC[C@@H]1C[C@@H]2C[C@@H]2N1C(=O)c1ncsc1-c1ccc(F)cc1)c1cccc2cccnc12

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.58
HCRTR2 O43614 19/20 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
SCHEMBL1571989 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL1572000 0.88 HCRTR1 (0.76) HCRTR1HCRTR2
SCHEMBL1571568 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1572231 0.87 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL1571640 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL1571900 0.82 HCRTR1 (0.40) HCRTR1HCRTR2
SCHEMBL1571796 0.80 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL1571683 0.80 HCRTR1 (0.73) HCRTR1HCRTR2
SCHEMBL1572208 0.80 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL1572148 0.80 HCRTR1 (0.65) 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