Sugi Predict

Sugi Predict / Compounds / SCHEMBL7814859

SCHEMBL7814859

SCHEMBL7814859

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NC4CCN(C(=O)CCNC(=N)N)CC4)c3Cl)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 6/20 0.69
▸ RORC P51449 14/20 0.60

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 SCHEMBL7959630 0.99 BDKRB2 (0.68) BDKRB2RORC
SCHEMBL7814423 0.92 BDKRB2 (0.65) BDKRB2RORC
Hydrochloric Acid SCHEMBL7952887 0.92 BDKRB2 (0.65) BDKRB2RORC
SCHEMBL7811016 0.91 BDKRB2 (0.62) BDKRB2RORC
SCHEMBL7818048 0.91 BDKRB2 (0.57) BDKRB2RORC
Hydrochloric Acid SCHEMBL7952834 0.91 BDKRB2 (0.56) BDKRB2RORC
SCHEMBL7814863 0.90 BDKRB2 (0.62) BDKRB2RORC
Hydrochloric Acid SCHEMBL7959640 0.90 BDKRB2 (0.61) BDKRB2RORC
SCHEMBL7805305 0.90 BDKRB2 (0.82) BDKRB2RORC
Hydrochloric Acid SCHEMBL7959619 0.89 BDKRB2 (0.81) 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