SCHEMBL3675464

SCHEMBL3675464

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

nearest known ligand 0.61

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.61
HCRTR2 O43614 13/20 0.48

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
SCHEMBL3674486 0.90 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL496482 0.89 HCRTR1 (0.65) HCRTR1HCRTR2
SCHEMBL496001 0.85 HCRTR1 (0.61) HCRTR1HCRTR2
SCHEMBL2446066 0.84 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2477357 0.82 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL496546 0.82 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL1338825 0.81 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2442923 0.80 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2444545 0.80 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL496344 0.80 HCRTR1 (0.70) 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 4 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 claimed
WO-2009004584-A1 3-AZA-BICYCLO[3.3.0]OCTANE COMPOUNDS ACTELION PHARMACEUTICALS LTD (CH) 2009-01-08 WO claimed
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