SCHEMBL6949997

SCHEMBL6949997

Cc1cc(C)c2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCCCCCN)c3Cl)c2n1

nearest known ligand 0.79

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 5/20 0.79
RORC P51449 15/20 0.67

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 SCHEMBL8039010 0.99 BDKRB2 (0.78) BDKRB2RORC
SCHEMBL6949639 0.99 BDKRB2 (0.80) BDKRB2RORC
SCHEMBL6949762 0.97 BDKRB2 (0.81) BDKRB2RORC
Hydrochloric Acid SCHEMBL6806337 0.97 BDKRB2 (0.80) BDKRB2RORC
Hydrochloric Acid SCHEMBL8045420 0.97 BDKRB2 (0.80) BDKRB2RORC
SCHEMBL6945138 0.95 BDKRB2 (0.78) BDKRB2RORC
SCHEMBL6952270 0.92 BDKRB2 (0.81) BDKRB2RORC
SCHEMBL6953002 0.92 BDKRB2 (0.74) BDKRB2RORC
SCHEMBL7818114 0.92 BDKRB2 (0.86) BDKRB2RORC
Hydrochloric Acid SCHEMBL7959582 0.91 BDKRB2 (0.85) 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 3 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
EP-0944618-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-09-29 EP disclosed
WO-1998024783-A1 NOVEL N-BENZENESULPHONYL-L-PROLINE DERIVATIVES, METHOD FOR PREPARING AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1998-06-11 WO disclosed