SCHEMBL2448604

SCHEMBL2448604

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2cn3ccsc3n2)c1

nearest known ligand 0.52

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.52
HCRTR2 O43614 13/20 0.52

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
SCHEMBL3418357 0.96 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL2445406 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2446024 0.89 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL496307 0.89 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2444006 0.87 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2440848 0.87 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2444043 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2447248 0.86 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2448720 0.86 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3416160 0.85 HCRTR1 (0.53) 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