SCHEMBL6605088

SCHEMBL6605088

CCCCn1oc(=O)nc1-c1ccccc1-c1ccc(CNc2ncncc2C(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 14/20 0.55
AGTR2 P50052 13/20 0.55
CYP1A2 P05177 3/20 0.42
CYP3A4 P08684 3/20 0.42
HSD17B10 Q99714 2/20 0.42
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.40
CYP2C19 P33261 2/20 0.40
ALOX15 P16050 1/20 0.40
TSHR P16473 1/20 0.40
LTB4R2 Q9NPC1 1/20 0.39
KDM4E B2RXH2 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
MAPK1 P28482 1/20 0.39
HIF1A Q16665 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL6607576 0.92 AGTR1 (0.47) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL6607228 0.91 AGTR1 (0.61) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL6609133 0.84 AGTR1 (0.58) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL8556846 0.76 AGTR1 (0.50) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL6606486 0.76 BDKRB1 (0.48) AGTR1AGTR2MAPT
SCHEMBL9591685 0.74 AGTR1 (0.71) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL9682946 0.70 AGTR2 (0.65) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL9592562 0.68 AGTR1 (0.74) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL8944112 0.67 AGTR1 (0.62) AGTR1AGTR2CYP1A2CYP3A4HSD17B10
SCHEMBL9589254 0.67 AGTR1 (0.64) AGTR1AGTR2CYP1A2CYP3A4HSD17B10

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
EP-0829479-B1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 2004-04-14 EP disclosed
EP-0588299-B1 1,2,4-Oxadiazolyl- or 1,2,4-thiadiazolyl-biphenyl derivatives as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES LTD (JP) 1998-07-01 EP disclosed
EP-0829479-A1 Heterocyclic compounds and their use as angiotensin II antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1998-03-18 EP disclosed