SCHEMBL3408566

SCHEMBL3408566

COc1cc(C)c(S(=O)(=O)N(C)CCOCC(=O)N2CCC(c3ccncc3)(N(C)C(=O)O)CC2)c(C)c1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.61

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
SCHEMBL3407151 0.93 BDKRB1 (0.64) BDKRB1
SCHEMBL3408500 0.90 BDKRB1 (0.60) BDKRB1
SCHEMBL3813821 0.88 BDKRB1 (0.64) BDKRB1
SCHEMBL3410734 0.87 BDKRB1 (0.63) BDKRB1
SCHEMBL3412844 0.87 BDKRB1 (0.66) BDKRB1
Hydrochloric Acid SCHEMBL3412258 0.86 BDKRB1 (0.62) BDKRB1
SCHEMBL3816585 0.85 BDKRB1 (0.62) BDKRB1
SCHEMBL4119197 0.84 BDKRB1 (0.67) BDKRB1
SCHEMBL3409642 0.84 BDKRB1 (0.61) BDKRB1
SCHEMBL701969 0.82 BDKRB1 (0.65) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2257527-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2010-12-08 EP disclosed
WO-2009115257-A1 SUBSTITUTED SULFONAMIDE DERIVATIVES Grünenthal GmbH (DE) 2009-09-24 WO disclosed