SCHEMBL7811022

SCHEMBL7811022

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCC4CCNCC4)c3Cl)c2n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.70
RORC P51449 16/20 0.68
BDKRB1 P46663 2/20 0.64

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 SCHEMBL7945814 0.99 BDKRB2 (0.69) BDKRB2RORCBDKRB1
SCHEMBL7810517 0.91 BDKRB2 (0.74) BDKRB2RORCBDKRB1
SCHEMBL7812526 0.91 RORC (0.69) BDKRB2RORC
SCHEMBL7815060 0.90 BDKRB2 (0.66) BDKRB2RORC
SCHEMBL7810522 0.90 RORC (0.69) BDKRB2RORC
Hydrochloric Acid SCHEMBL7952857 0.90 BDKRB2 (0.73) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7954305 0.90 RORC (0.69) BDKRB2RORC
SCHEMBL7814891 0.90 BDKRB2 (0.77) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7952866 0.90 RORC (0.68) BDKRB2RORC
SCHEMBL6939238 0.90 RORC (0.66) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0925295-B1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS B2 RECEPTOR ANTAGONISTS OF THE BRADYKININ FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed
EP-0874841-B1 1-BENZENESULFONYL PYRROLIDINE DERIVATIVES AS BRADYKININ RECEPTOR ANTAGONISTS FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed