SCHEMBL3418184

SCHEMBL3418184

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

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 20/20 0.58
HCRTR2 O43614 14/20 0.58

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
SCHEMBL2448720 0.96 HCRTR1 (0.55) HCRTR1HCRTR2
SCHEMBL3411950 0.93 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL2442582 0.93 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL3413934 0.90 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3415335 0.89 HCRTR1 (0.51) HCRTR1HCRTR2
SCHEMBL1340088 0.88 HCRTR1 (0.64) HCRTR1HCRTR2
SCHEMBL3418119 0.88 HCRTR1 (0.49) HCRTR1HCRTR2
SCHEMBL3415973 0.87 HCRTR1 (0.60) HCRTR1HCRTR2
SCHEMBL3418357 0.85 HCRTR1 (0.56) HCRTR1HCRTR2
SCHEMBL3417071 0.85 HCRTR1 (0.58) 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-2185512-B1 TRANS-3-AZA-BICYCLO[3.1.0]HEXANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2010-12-29 EP claimed