SCHEMBL6946404

SCHEMBL6946404

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCNC(=O)c4cccc(C(N)=NO)c4)c3Cl)c2n1

nearest known ligand 0.82

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 4/20 0.82
RORC P51449 16/20 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
SCHEMBL6946397 1.00 BDKRB2 (0.82) BDKRB2RORC
SCHEMBL6953851 0.94 BDKRB2 (0.79) BDKRB2RORC
SCHEMBL6953850 0.94 BDKRB2 (0.79) BDKRB2RORC
SCHEMBL6947375 0.93 BDKRB2 (0.92) BDKRB2RORC
SCHEMBL6948163 0.93 BDKRB2 (0.79) BDKRB2RORC
SCHEMBL6948164 0.93 BDKRB2 (0.79) BDKRB2RORC
SCHEMBL6947379 0.90 BDKRB2 (0.79) BDKRB2RORC
Anatibant SCHEMBL6945415 0.90 BDKRB2 (1.00) BDKRB2RORC
Anatibant SCHEMBL1649974 0.90 BDKRB2 (1.00) BDKRB2RORC
Anatibant SCHEMBL29403189 0.90 BDKRB2 (1.00) 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-0944618-B1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2003-09-24 EP disclosed
US-6063791-A N-benzenesulfonyl-L-proline derivatives, method for preparing and therapeutic use FOURNIER INDUSTRIE ET SANTE (FR) 2000-05-16 US disclosed