SCHEMBL7818079

SCHEMBL7818079

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

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 5/20 0.63
BDKRB1 P46663 1/20 0.63
RORC P51449 15/20 0.62

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 SCHEMBL7956334 0.99 BDKRB2 (0.62) BDKRB2BDKRB1RORC
SCHEMBL7811200 0.94 RORC (0.61) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7954327 0.93 RORC (0.60) BDKRB2BDKRB1RORC
SCHEMBL7814484 0.92 RORC (0.63) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7954315 0.91 RORC (0.62) BDKRB2BDKRB1RORC
SCHEMBL7810522 0.91 RORC (0.69) BDKRB2RORC
SCHEMBL7814891 0.90 BDKRB2 (0.77) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7952866 0.90 RORC (0.68) BDKRB2RORC
Hydrochloric Acid SCHEMBL8174819 0.89 BDKRB2 (0.76) BDKRB2BDKRB1RORC
Hydrochloric Acid SCHEMBL7954912 0.89 BDKRB2 (0.76) 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