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Sugi Predict / Compounds / SCHEMBL6948001

SCHEMBL6948001

SCHEMBL6948001

CC(=O)O/N=C(\N)c1ccc(C(=O)NCCCN(C)C(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(Cl)c(COc3cccc4c(C)cc(C)nc34)c2Cl)cc1

nearest known ligand 0.71

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ BDKRB2 P30411 8/20 0.71
▸ RORC P51449 12/20 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
SCHEMBL6948003 1.00 BDKRB2 (0.71) BDKRB2RORC
SCHEMBL6950750 0.94 BDKRB2 (0.73) BDKRB2RORC
SCHEMBL6950749 0.94 BDKRB2 (0.73) BDKRB2RORC
SCHEMBL6945315 0.92 BDKRB2 (0.61) BDKRB2RORC
SCHEMBL6945313 0.92 BDKRB2 (0.61) BDKRB2RORC
SCHEMBL6948728 0.92 BDKRB2 (0.84) BDKRB2RORC
Hydrochloric Acid SCHEMBL8039001 0.91 BDKRB2 (0.83) BDKRB2RORC
SCHEMBL6948736 0.90 BDKRB2 (0.71) BDKRB2RORC
Hydrochloric Acid SCHEMBL8039006 0.90 BDKRB2 (0.70) BDKRB2RORC
SCHEMBL6950121 0.89 BDKRB2 (0.70) 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