SCHEMBL5193350

SCHEMBL5193350

CN(CCc1ccc(C2=NCCN2C)cc1)C(=O)CCN(C)S(=O)(=O)c1cccc(Cl)c1Cl

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
BDKRB1 P46663 10/20 0.47
F10 P00742 5/20 0.34
KLK1 P06870 1/20 0.34
MCHR1 Q99705 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL5251466 0.95 BDKRB1 (0.48) BDKRB1F10KLK1
SCHEMBL5396927 0.90 BDKRB1 (0.46) BDKRB1MCHR1MCOLN3
SCHEMBL5393651 0.87 BDKRB1 (0.47) BDKRB1MCHR1MCOLN3
SCHEMBL5384936 0.84 BDKRB1 (0.36) BDKRB1F10KLK1
SCHEMBL5392291 0.82 BDKRB1 (0.48) BDKRB1MCHR1
SCHEMBL5118629 0.82 BDKRB1 (0.54) BDKRB1MCOLN3
SCHEMBL5382643 0.82 BDKRB1 (0.69) BDKRB1
SCHEMBL4036007 0.82 BDKRB1 (0.71) BDKRB1F10
Hydrochloric Acid SCHEMBL5385888 0.81 BDKRB1 (0.68) BDKRB1
SCHEMBL5216063 0.81 BDKRB1 (0.44) 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-1812405-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2007-08-01 EP disclosed
WO-2006048209-A1 NOVEL BRADYKININ B1 ANTAGONISTS, METHOD FOR PRODUCING THE SAME AND THE USE THEREOF AS DRUGS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2006-05-11 WO disclosed