SCHEMBL7814482

SCHEMBL7814482

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NC4CCN(C(=N)N)CC4)c3Cl)c2n1

nearest known ligand 0.63

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 8/20 0.63
RORC P51449 12/20 0.59
BDKRB1 P46663 1/20 0.53

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 SCHEMBL7954304 0.99 BDKRB2 (0.62) BDKRB2RORCBDKRB1
SCHEMBL7818472 0.92 BDKRB2 (0.62) BDKRB2RORCBDKRB1
SCHEMBL7814499 0.92 BDKRB2 (0.58) BDKRB2RORCBDKRB1
SCHEMBL7814516 0.92 RORC (0.59) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7952845 0.92 BDKRB2 (0.57) BDKRB2RORCBDKRB1
SCHEMBL7818077 0.91 BDKRB2 (0.64) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7945816 0.91 RORC (0.58) BDKRB2RORCBDKRB1
SCHEMBL7812350 0.91 RORC (0.58) BDKRB2RORC
SCHEMBL7818048 0.91 BDKRB2 (0.57) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7945806 0.91 RORC (0.57) BDKRB2RORC

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