Sugi Predict

Sugi Predict / Compounds / SCHEMBL7818231

SCHEMBL7818231

SCHEMBL7818231

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCN/C(=N\C(=O)OC(C)(C)C)NC(=O)OC(C)(C)C)c3Cl)c2n1

nearest known ligand 0.57

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RORC P51449 13/20 0.57
▸ BDKRB2 P30411 7/20 0.55
▸ 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
SCHEMBL7811148 0.98 BDKRB2 (0.58) RORCBDKRB2BDKRB1
SCHEMBL7945796 0.98 BDKRB2 (0.57) RORCBDKRB2BDKRB1
SCHEMBL7805378 0.91 RORC (0.51) RORCBDKRB2
SCHEMBL7814517 0.91 BDKRB2 (0.67) RORCBDKRB2
SCHEMBL7815406 0.91 RORC (0.53) RORCBDKRB2BDKRB1
SCHEMBL7815401 0.91 RORC (0.53) RORCBDKRB2BDKRB1
SCHEMBL7956401 0.90 RORC (0.51) RORCBDKRB2BDKRB1
SCHEMBL7814889 0.90 BDKRB2 (0.61) RORCBDKRB2BDKRB1
SCHEMBL7814772 0.90 BDKRB2 (0.63) RORCBDKRB2BDKRB1
SCHEMBL7812410 0.90 BDKRB2 (0.63) 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 2 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 disclosed
US-6211181-B1 ANTIINFLAMMATORY AGENTS, ANALGESICS, ANTIALLERGENS, AND ANTIASTHMATICS FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-03 — — US disclosed