SCHEMBL8979819

SCHEMBL8979819

CCCCc1nc(N[N+](=O)[O-])[nH]c(=O)c1Cc1ccc(-c2ccccc2C(=O)O)cc1

nearest known ligand 0.74

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR2 P50052 3/20 0.50
AGTR1 P30556 2/20 0.50
BRS3 P32247 2/20 0.47

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
SCHEMBL8979890 0.92 AGTR1 (0.45) AGTR2AGTR1BRS3
SCHEMBL8979810 0.86 BRS3 (0.47) AGTR2AGTR1BRS3
SCHEMBL8979817 0.86 AGTR2 (0.51) AGTR2AGTR1BRS3
SCHEMBL8979739 0.85 AGTR2 (0.56) AGTR2AGTR1BRS3
SCHEMBL8979820 0.85 AGTR2 (0.51) AGTR2AGTR1BRS3
SCHEMBL8979855 0.84 AGTR1 (0.50) AGTR2AGTR1BRS3
SCHEMBL8979812 0.84 AGTR2 (0.50) AGTR2AGTR1BRS3
SCHEMBL8979782 0.84 AGTR2 (0.56) AGTR2AGTR1BRS3
SCHEMBL8979863 0.83 AGTR2 (0.55) AGTR2AGTR1BRS3
SCHEMBL9196627 0.83 AGTR1 (0.55) AGTR2AGTR1BRS3

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