SCHEMBL7814645

SCHEMBL7814645

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)Nc4cccc(C=NN)c4)c3Cl)c2n1

nearest known ligand 0.58

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
RORC P51449 16/20 0.58
BDKRB2 P30411 4/20 0.53
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 SCHEMBL8187943 0.99 RORC (0.58) RORCBDKRB2BDKRB1
SCHEMBL7814639 0.88 BDKRB2 (0.63) RORCBDKRB2BDKRB1
SCHEMBL7815487 0.88 RORC (0.59) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL8187935 0.87 BDKRB2 (0.63) RORCBDKRB2BDKRB1
SCHEMBL7812505 0.87 RORC (0.60) RORCBDKRB2BDKRB1
SCHEMBL7812751 0.87 RORC (0.60) RORCBDKRB2BDKRB1
Hydrochloric Acid SCHEMBL8188635 0.87 RORC (0.59) RORCBDKRB2BDKRB1
SCHEMBL7814638 0.86 RORC (0.58) RORCBDKRB2BDKRB1
SCHEMBL6952228 0.84 BDKRB2 (0.69) RORCBDKRB2BDKRB1
SCHEMBL7818479 0.84 RORC (0.54) 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 3 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-0925295-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1999-06-30 EP disclosed
WO-1998003503-A1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS BRADYKININ B2 AGONISTS FOURNIER INDUSTRIE ET SANTE (FR) 1998-01-29 WO disclosed