SCHEMBL2442934

SCHEMBL2442934

Cc1nc2sccn2c1OC(=O)NC[C@@H]1[C@H]2CC(C)C[C@H]2CN1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 19/20 0.45
HCRTR2 O43614 14/20 0.45

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
SCHEMBL2447698 0.96 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3413228 0.96 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2450783 0.95 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2446950 0.94 HCRTR1 (0.42) HCRTR1HCRTR2
SCHEMBL2445397 0.94 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2447219 0.92 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL3415509 0.89 HCRTR1 (0.54) HCRTR1HCRTR2
SCHEMBL2442268 0.89 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL3413357 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL3414530 0.88 HCRTR1 (0.45) 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