SCHEMBL2443940

SCHEMBL2443940

CCc1ccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2c(C)nc3sccn23)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.47
HCRTR2 O43614 7/20 0.47

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
SCHEMBL3415443 0.96 HCRTR1 (0.50) HCRTR1HCRTR2
SCHEMBL2440864 0.94 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2442497 0.93 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2444663 0.93 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2450594 0.92 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2450785 0.91 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL2442507 0.91 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2440204 0.90 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL2442097 0.90 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3415448 0.89 HCRTR1 (0.51) 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