SCHEMBL7818339

SCHEMBL7818339

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCC4CCN(C(=O)CCCN)CC4)c3Cl)c2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 10/20 0.61
BDKRB1 P46663 1/20 0.61
RORC P51449 10/20 0.56

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 SCHEMBL7959578 0.99 BDKRB2 (0.60) BDKRB2BDKRB1RORC
SCHEMBL7814472 0.92 BDKRB2 (0.60) BDKRB2BDKRB1RORC
SCHEMBL7818384 0.92 RORC (0.56) BDKRB2RORC
Hydrochloric Acid SCHEMBL7954874 0.92 BDKRB2 (0.59) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7959620 0.91 RORC (0.56) BDKRB2RORC
SCHEMBL7814466 0.91 BDKRB2 (0.57) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7954883 0.91 BDKRB2 (0.56) BDKRB2BDKRB1RORC
SCHEMBL7814556 0.90 BDKRB2 (0.57) BDKRB2BDKRB1RORC
SCHEMBL7818077 0.90 BDKRB2 (0.64) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7956323 0.89 BDKRB2 (0.63) BDKRB2BDKRB1RORC

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
EP-0874841-B1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed