SCHEMBL7805147

SCHEMBL7805147

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

nearest known ligand 0.64

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.64
RORC P51449 12/20 0.63
BDKRB1 P46663 1/20 0.60

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
SCHEMBL7811061 0.96 BDKRB2 (0.66) BDKRB2RORCBDKRB1
SCHEMBL7818251 0.96 BDKRB2 (0.66) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL8039026 0.95 BDKRB2 (0.65) BDKRB2RORCBDKRB1
SCHEMBL7805297 0.95 BDKRB2 (0.65) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7945809 0.95 BDKRB2 (0.65) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7954771 0.94 BDKRB2 (0.64) BDKRB2RORCBDKRB1
SCHEMBL7805546 0.93 RORC (0.65) BDKRB2RORCBDKRB1
SCHEMBL7815230 0.92 BDKRB2 (0.67) BDKRB2RORCBDKRB1
SCHEMBL7805674 0.92 BDKRB2 (0.64) BDKRB2RORCBDKRB1
SCHEMBL7815579 0.92 BDKRB2 (0.65) BDKRB2RORCBDKRB1

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 5 patents. 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 claimed
EP-0874841-B1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 US disclosed
EP-0874841-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR B2 ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-11-04 EP disclosed
WO-1997024349-A1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1997-07-10 WO disclosed