SCHEMBL13935159

SCHEMBL13935159

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N(C)[C@H]2CCC[C@@H](N3CCCC3)C2)c(C)c1

nearest known ligand 0.89

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.89

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
SCHEMBL12730985 0.96 BDKRB1 (0.91) BDKRB1
SCHEMBL12731658 0.96 BDKRB1 (0.91) BDKRB1
SCHEMBL12730982 0.96 BDKRB1 (0.91) BDKRB1
SCHEMBL12025884 0.95 BDKRB1 (0.81) BDKRB1
SCHEMBL15685524 0.95 BDKRB1 (0.95) BDKRB1
SCHEMBL12022285 0.95 BDKRB1 (0.81) BDKRB1
SCHEMBL3926592 0.95 BDKRB1 (0.89) BDKRB1
SCHEMBL10044350 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL12010215 0.94 BDKRB1 (1.00) BDKRB1
SCHEMBL10044361 0.94 BDKRB1 (1.00) 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
WO-2009021946-A1 NOVEL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-02-19 WO disclosed