SCHEMBL7006915

SCHEMBL7006915

Cc1cnc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4ccc(C#N)cc4)c3Cl)c2n1

nearest known ligand 0.68

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.68
RORC P51449 18/20 0.56

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
SCHEMBL6953812 0.92 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7017833 0.91 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL7017837 0.91 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL7010254 0.91 BDKRB2 (0.82) BDKRB2RORC
SCHEMBL7718780 0.90 BDKRB2 (0.80) BDKRB2RORC
SCHEMBL7010264 0.89 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7007047 0.88 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7719777 0.88 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7718784 0.88 BDKRB2 (0.67) BDKRB2RORC
SCHEMBL7009589 0.86 RORC (0.58) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991650-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE COMPOUNDS, PREPARATION METHOD AND USE IN THERAPY FOURNIER IND & SANTE (FR) 2003-09-10 EP disclosed
US-6384222-B1 BRADYKININ HORMONE ANTAGONIST; ANALGESIC, ANTIINFLAMMATORY; ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; ETHERIFICATION, AMIDATION FOURNIER INDUSTRIE ET SANTE (FR) 2002-05-07 US disclosed