SCHEMBL7274995

SCHEMBL7274995

CCc1cc(N(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)C(C)=O)c(C=O)c(CC)n1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 9/20 0.39
AGTR2 P50052 7/20 0.35
LTB4R2 Q9NPC1 2/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
ALOX15 P16050 1/20 0.33
TSHR P16473 1/20 0.33
MAPK1 P28482 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DRD4 P21917 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33

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
SCHEMBL9495245 0.85 LTB4R2 (0.43) AGTR1AGTR2LTB4R2
SCHEMBL9494669 0.79 AGTR1 (0.43) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL9495733 0.75 AGTR1 (0.40) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL9494765 0.74 AGTR1 (0.40) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL9494444 0.74 AGTR1 (0.41) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL9454294 0.73 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9495741 0.73 AGTR1 (0.65) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL7284290 0.73 AGTR1 (0.42) AGTR1
SCHEMBL7292232 0.73 AGTR1 (0.44) AGTR1AGTR2CYP3A4CYP2D6CYP2C9
SCHEMBL9664974 0.73 AGTR1 (0.43) AGTR1AGTR2CYP3A4CYP2D6CYP2C9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0516392-B1 Naphthyridine derivatives as angiotensin II inhibitors ASTRAZENECA AB (SE) 2001-08-29 EP disclosed
US-5294620-A Hypotensive agents or compounds for cardiovascular disorders IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1994-03-15 US disclosed
US-5217976-A Hypotensive agents, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-06-08 US disclosed
EP-0516392-A2 Naphthyridine derivatives as angiotensin II inhibitors ZENECA LIMITED (GB) 1992-12-02 EP disclosed