SCHEMBL2445409

SCHEMBL2445409

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2cc(Cl)ccn2)c1

nearest known ligand 0.46

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.46
HCRTR2 O43614 14/20 0.46

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
SCHEMBL2444043 0.94 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2443941 0.92 HCRTR1 (0.46) HCRTR1HCRTR2
SCHEMBL496622 0.88 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2444006 0.88 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2447248 0.88 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2447250 0.85 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL497236 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL497235 0.85 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2448604 0.84 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL496178 0.84 HCRTR1 (0.54) 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