SCHEMBL14357366

SCHEMBL14357366

CN(CCc1ccc(C2=NCCN2)cc1)C(=O)C[C@@H]1CCCN1S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 20/20 0.51

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
SCHEMBL5396775 1.00 BDKRB1 (0.51) BDKRB1
Hydrochloric Acid SCHEMBL5383429 0.99 BDKRB1 (0.51) BDKRB1
SCHEMBL5393965 0.93 BDKRB1 (0.50) BDKRB1
Hydrochloric Acid SCHEMBL5383437 0.92 BDKRB1 (0.49) BDKRB1
SCHEMBL5385083 0.90 BDKRB1 (0.49) BDKRB1
Hydrochloric Acid SCHEMBL5383391 0.90 BDKRB1 (0.49) BDKRB1
SCHEMBL5385820 0.84 CCR1 (0.38) BDKRB1
SCHEMBL5392234 0.82 BDKRB1 (0.50) BDKRB1
SCHEMBL5195850 0.80 BDKRB1 (0.51) BDKRB1
SCHEMBL5384892 0.79 BDKRB1 (0.67) 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
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed
US-7291642-B2 Bradykinin-B1 antagonists, process for their preparation and their use as medicaments BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-11-06 US disclosed