SCHEMBL2128504

SCHEMBL2128504

Cc1nc2sccn2c1OC(=O)NC[C@@H]1[C@H]2CC[C@H](C2)N1C(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 15/20 0.39
HCRTR2 O43614 13/20 0.36
NTRK1 P04629 1/20 0.33

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
SCHEMBL982207 0.87 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2126539 0.86 HCRTR1 (0.52) HCRTR1HCRTR2
SCHEMBL2127862 0.84 HCRTR1 (0.44) HCRTR1HCRTR2
SCHEMBL3413228 0.84 HCRTR1 (0.48) HCRTR1HCRTR2
SCHEMBL2127244 0.84 HCRTR1 (0.43) HCRTR1HCRTR2
SCHEMBL2442268 0.82 HCRTR1 (0.53) HCRTR1HCRTR2
SCHEMBL2442934 0.81 HCRTR1 (0.45) HCRTR1HCRTR2
SCHEMBL2132974 0.81 HCRTR1 (0.58) HCRTR1HCRTR2
SCHEMBL2125846 0.80 HCRTR1 (0.47) HCRTR1HCRTR2
SCHEMBL2127864 0.80 HCRTR1 (0.51) 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-2247586-B1 2-AZA-BICYCLO[2.2.1]HEPTANE DERIVATIVES ACTELION PHARMACEUTICALS LTD (CH) 2012-04-25 EP claimed