SCHEMBL2448720

SCHEMBL2448720

Cc1cccc(-c2sc(C)nc2C(=O)N2C[C@@H]3CC(C)C[C@@H]3[C@H]2CNC(=O)Oc2cnc3sccn23)c1

nearest known ligand 0.55

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.55
HCRTR2 O43614 13/20 0.55

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
SCHEMBL3418184 0.96 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2442582 0.90 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3411950 0.90 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2440848 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL495969 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL20827748 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL21018622 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL22897290 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2445639 0.89 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL2448604 0.86 HCRTR1 (0.52) 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