SCHEMBL16675717

SCHEMBL16675717

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)C2CCC(C(=O)N3CCC[C@H](N(C)C)C3)CC2)c(C)c1

nearest known ligand 0.62

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.62

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
SCHEMBL12022173 1.00 BDKRB1 (0.62) BDKRB1
SCHEMBL13941024 0.91 BDKRB1 (0.64) BDKRB1
SCHEMBL12010339 0.91 BDKRB1 (0.69) BDKRB1
SCHEMBL12867678 0.91 BDKRB1 (0.71) BDKRB1
SCHEMBL1181196 0.89 BDKRB1 (0.62) BDKRB1
SCHEMBL12010343 0.88 BDKRB1 (0.66) BDKRB1
SCHEMBL12010340 0.88 BDKRB1 (0.66) BDKRB1
SCHEMBL12022175 0.88 BDKRB1 (0.65) BDKRB1
SCHEMBL12022215 0.87 BDKRB1 (0.70) BDKRB1
SCHEMBL13940287 0.87 BDKRB1 (0.70) BDKRB1

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-2188251-B1 ARYLSULFONAMIDES WITH ANALGESIC ACTIVITY BOEHRINGER INGELHEIM INT (DE) 2015-04-29 EP disclosed