SCHEMBL7811200

SCHEMBL7811200

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCC4CCN(C=NN)CC4)c3Cl)c2n1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 15/20 0.61
BDKRB2 P30411 5/20 0.57
BDKRB1 P46663 1/20 0.55

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 SCHEMBL7954327 0.99 RORC (0.60) RORCBDKRB2BDKRB1
SCHEMBL7818079 0.94 BDKRB2 (0.63) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL7956334 0.93 BDKRB2 (0.62) RORCBDKRB2BDKRB1
SCHEMBL7814484 0.90 RORC (0.63) RORCBDKRB2BDKRB1
SCHEMBL7815057 0.90 BDKRB2 (0.67) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL7954315 0.90 RORC (0.62) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL7956344 0.90 BDKRB2 (0.66) RORCBDKRB2BDKRB1
SCHEMBL7811197 0.89 BDKRB2 (0.63) RORCBDKRB2BDKRB1
SCHEMBL7805546 0.89 RORC (0.65) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL7954320 0.89 BDKRB2 (0.62) RORCBDKRB2BDKRB1

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