SCHEMBL8979810

SCHEMBL8979810

CCCCc1[nH]c(N[N+](=O)[O-])nc(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BRS3 P32247 4/20 0.47
AGTR1 P30556 2/20 0.46
AGTR2 P50052 2/20 0.46

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
SCHEMBL8979887 0.92 AGTR1 (0.45) BRS3AGTR1AGTR2
SCHEMBL8979819 0.86 AGTR2 (0.50) BRS3AGTR1AGTR2
SCHEMBL8979808 0.86 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL9198419 0.85 BRS3 (0.53) BRS3AGTR1AGTR2
SCHEMBL8979815 0.85 BRS3 (0.48) BRS3AGTR1AGTR2
SCHEMBL8979807 0.84 BRS3 (0.47) BRS3AGTR1AGTR2
SCHEMBL8979847 0.84 BRS3 (0.47) BRS3AGTR1AGTR2
SCHEMBL9134883 0.83 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL9138510 0.83 BRS3 (0.55) BRS3AGTR1AGTR2
SCHEMBL8979856 0.83 BRS3 (0.52) BRS3AGTR1AGTR2

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
US-5565464-A Compounds having angiotensine II antagonistic activity ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1996-10-15 US disclosed
EP-0641329-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.p.A. (IT) 1995-03-08 EP disclosed
WO-1993003018-A1 COMPOUNDS HAVING ANGIOTENSINE II ANTAGONISTIC ACTIVITY ISTITUTO LUSO FARMACO D'ITALIA S.P.A. (IT) 1993-02-18 WO disclosed