SCHEMBL571420

SCHEMBL571420

COc1cc(C)c(S(=O)(=O)N(C)CCOC(C)C(=O)NC2CCCC(N3CCN(C)CC3)C2)c(C)c1

nearest known ligand 0.64

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.64

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
Hydrochloric Acid SCHEMBL15347753 0.84 BDKRB1 (0.63) BDKRB1
SCHEMBL12010215 0.78 BDKRB1 (1.00) BDKRB1
SCHEMBL12730899 0.78 BDKRB1 (1.00) BDKRB1
SCHEMBL10044350 0.78 BDKRB1 (1.00) BDKRB1
SCHEMBL10044361 0.78 BDKRB1 (1.00) BDKRB1
SCHEMBL571391 0.78 BDKRB1 (1.00) BDKRB1
Hydrochloric Acid SCHEMBL15347598 0.77 BDKRB1 (0.98) BDKRB1
Hydrochloric Acid SCHEMBL15347819 0.77 BDKRB1 (0.98) BDKRB1
SCHEMBL4000589 0.77 BDKRB1 (0.93) BDKRB1
SCHEMBL12731604 0.76 BDKRB1 (0.95) 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-2601181-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL]ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTOR ANTAGONISTS Boehringer Ingelheim International GmbH (DE) 2013-06-12 EP disclosed
WO-2012017027-A1 ACID ADDITION SALTS OF THE 2-[2-[[(4-METHOXY-2,6-DIMETHYLPHENYL)SULFONYL]-(METHYL)AMINO]ETHOXY]-N-METHYL-N-[3-(4-METHYLPIPERAZIN-1-YL)CYCLOHEXYL] ACETAMIDE AND THE USE THEREOF AS BRADYKININ B1 RECEPTOR ANTAGONISTS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-02-09 WO disclosed