SCHEMBL8979872

SCHEMBL8979872

CCCCc1[nH]c(C)nc(=O)c1Cc1ccc(-c2ccccc2C(=O)OC)cc1

nearest known ligand 0.58

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.49
AGTR2 P50052 1/20 0.49
ACHE P22303 1/20 0.47
LTB4R2 Q9NPC1 1/20 0.46
BDKRB1 P46663 1/20 0.45
BRS3 P32247 1/20 0.44

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
SCHEMBL8979758 0.91 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8673612 0.90 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL9136676 0.90 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL9198419 0.89 BRS3 (0.53) AGTR1AGTR2BRS3
SCHEMBL8979887 0.87 AGTR1 (0.45) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979791 0.86 AGTR1 (0.46) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979775 0.85 AGTR1 (0.45) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8801575 0.85 AGTR1 (0.47) AGTR1AGTR2ACHELTB4R2BDKRB1
SCHEMBL8979880 0.85 AGTR1 (0.49) AGTR1AGTR2ACHELTB4R2BRS3
SCHEMBL8979827 0.84 AGTR1 (0.44) AGTR1AGTR2ACHELTB4R2BDKRB1

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