SCHEMBL2445352

SCHEMBL2445352

Cc1ccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CN)cc1

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.44
HCRTR2 O43614 10/20 0.44

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
SCHEMBL3413297 0.94 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2930078 0.94 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2448711 0.93 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2444535 0.92 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2445578 0.92 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2444555 0.91 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2448794 0.90 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2447475 0.90 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL496374 0.89 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2442133 0.89 HCRTR1 (0.48) 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-2164847-B1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2011-09-14 EP claimed