SCHEMBL2445347

SCHEMBL2445347

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2nn(C)c3ccccc23)c1

nearest known ligand 0.45

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.45
HCRTR2 O43614 12/20 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
SCHEMBL3416261 0.96 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3414653 0.89 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL496282 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2442564 0.89 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2447480 0.88 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL2449455 0.87 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL1340370 0.85 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL2444006 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3414952 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL3411885 0.84 HCRTR1 (0.48) 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