SCHEMBL7812503

SCHEMBL7812503

Cc1ccc2cccc(OCc3c(Cl)ccc(S(=O)(=O)N4CCC[C@H]4C(=O)NCc4ccc(C(=N)N)cc4)c3Cl)c2n1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BDKRB2 P30411 6/20 0.70
RORC P51449 14/20 0.60
BDKRB1 P46663 1/20 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
Hydrochloric Acid SCHEMBL8188629 0.99 BDKRB2 (0.69) BDKRB2RORCBDKRB1
SCHEMBL7815212 0.94 BDKRB2 (0.63) BDKRB2RORCBDKRB1
SCHEMBL7814943 0.94 BDKRB2 (0.62) BDKRB2RORCBDKRB1
SCHEMBL7011085 0.92 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7812765 0.91 RORC (0.71) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL7719728 0.91 BDKRB2 (0.69) BDKRB2RORC
SCHEMBL7811570 0.91 BDKRB2 (0.84) BDKRB2RORC
SCHEMBL6952223 0.91 BDKRB2 (0.83) BDKRB2RORCBDKRB1
Hydrochloric Acid SCHEMBL8041983 0.90 BDKRB2 (0.82) BDKRB2RORCBDKRB1
SCHEMBL8181611 0.90 BDKRB2 (0.82) 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-0925295-B1 N-BENZENESULPHONYL-L-PROLINE DERIVATIVES AS B2 RECEPTOR ANTAGONISTS OF THE BRADYKININ FOURNIER IND & SANTE (FR) 2001-10-04 EP disclosed
US-6071917-A ANALGESICS; ANTIINFLAMMATORY AGENTS; ESPECIALLY FOR THE TREATMENT OF ASTHMA, CEREBRAL TRAUMATIC SHOCK AND ALLERGIC RHINITIS; COMPETITIVE BINDING AT RECEPTORS FOURNIER INDUSTRIE ET SANTE (FR) 2000-06-06 US disclosed