SCHEMBL7007047

SCHEMBL7007047

CC(=O)ON=C(N)c1ccc(C(=O)NCCCNC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(COc3cccc4ncc(C)nc34)c2Cl)cc1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.69
RORC P51449 18/20 0.55

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
SCHEMBL7719777 1.00 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7017833 0.94 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL7017837 0.94 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL6947983 0.92 BDKRB2 (0.70) BDKRB2RORC
SCHEMBL6947980 0.92 BDKRB2 (0.70) BDKRB2RORC
SCHEMBL7010254 0.91 BDKRB2 (0.82) BDKRB2RORC
SCHEMBL7718780 0.90 BDKRB2 (0.80) BDKRB2RORC
SCHEMBL6953657 0.90 BDKRB2 (0.73) BDKRB2RORC
SCHEMBL6953653 0.90 BDKRB2 (0.73) BDKRB2RORC
SCHEMBL7010264 0.89 BDKRB2 (0.69) 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 4 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-6392032-B1 COMPOUND FOR USE AS A MODULATOR OF PLANT PROPAGATION; FOR USE AS HERBICIDE; FOR USE AS ANTITUMOR AGENT BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN 2002-05-21 US 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
US-6013790-A Heavily fluorinated sugar analogs BOARD OF REGENTS UNIVERSITY OF NEBRASKA-LINCOLN (US) 2000-01-11 US disclosed