SCHEMBL3674486

SCHEMBL3674486

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)c2onc3ccccc23)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.50
HCRTR2 O43614 12/20 0.49

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
SCHEMBL3675464 0.90 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL496516 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3670198 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL496628 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2446729 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL496629 0.86 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL496147 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL496292 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL496282 0.85 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1338825 0.84 HCRTR1 (0.56) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2164847-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS Actelion Pharmaceuticals Ltd. (CH) 2010-03-24 EP disclosed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO disclosed