SCHEMBL7005667

SCHEMBL7005667

Cc1nc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCc4ccc(C(=N)N)cc4)c3Cl)c2n1

nearest known ligand 0.69

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 2/20 0.69
RORC P51449 18/20 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
SCHEMBL7811570 0.90 BDKRB2 (0.84) BDKRB2RORC
SCHEMBL8181611 0.89 BDKRB2 (0.82) BDKRB2RORC
SCHEMBL7005674 0.89 RORC (0.60) BDKRB2RORC
SCHEMBL7812503 0.89 BDKRB2 (0.70) BDKRB2RORC
Hydrochloric Acid SCHEMBL8188629 0.89 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7011085 0.89 BDKRB2 (0.69) BDKRB2RORC
Hydrochloric Acid SCHEMBL7719728 0.88 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7012291 0.85 BDKRB2 (0.60) BDKRB2RORC
SCHEMBL7819021 0.85 BDKRB2 (0.85) BDKRB2RORC
Hydrochloric Acid SCHEMBL7719752 0.85 BDKRB2 (0.60) 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