SCHEMBL9350467

SCHEMBL9350467

CCCc1cc2c(ccc(=O)n2Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(C)n1

nearest known ligand 0.48

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.47
AGTR2 P50052 2/20 0.42
AGT P01019 1/20 0.37

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
SCHEMBL9346802 0.90 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7292232 0.86 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9308011 0.81 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9350575 0.79 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL7283197 0.79 CYP3A4 (0.50) AGTR1AGTR2
SCHEMBL9350422 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9663317 0.78 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9350518 0.77 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9346516 0.77 AGTR1 (0.44) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9350392 0.77 PPARG (0.39) AGTR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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