SCHEMBL7812552

SCHEMBL7812552

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCCC4C(=O)N4CCN(C(=N)N)CC4)c3Cl)c2n1

nearest known ligand 0.72

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
RORC P51449 17/20 0.72
BDKRB2 P30411 3/20 0.70

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
SCHEMBL7812560 1.00 RORC (0.72) RORCBDKRB2
Trifluoroacetic Acid SCHEMBL7954880 0.95 RORC (0.72) RORCBDKRB2
SCHEMBL1772938 0.92 BDKRB2 (0.75) RORCBDKRB2
SCHEMBL6442652 0.92 BDKRB2 (0.75) RORCBDKRB2
SCHEMBL7805304 0.92 BDKRB2 (0.70) RORCBDKRB2
SCHEMBL7805306 0.92 BDKRB2 (0.70) RORCBDKRB2
Hydrochloric Acid SCHEMBL8182811 0.92 BDKRB2 (0.74) RORCBDKRB2
Hydrochloric Acid SCHEMBL8182794 0.92 BDKRB2 (0.74) RORCBDKRB2
SCHEMBL8444824 0.91 BDKRB2 (0.73) RORCBDKRB2
SCHEMBL8443100 0.91 BDKRB2 (0.73) RORCBDKRB2

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