SCHEMBL9497035

SCHEMBL9497035

CCCc1cc(N(C)c2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(C(=O)OC)c(C)n1

nearest known ligand 0.46

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 4/20 0.38
AGTR2 P50052 3/20 0.36
DGAT1 O75907 1/20 0.33
SOAT1 P35610 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
SCHEMBL9494067 0.89 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9494917 0.85 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9497028 0.84 AGTR1 (0.53) AGTR1AGTR2
SCHEMBL9454924 0.84 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454842 0.77 AGTR1 (0.43) AGTR1AGTR2
Hydrochloric Acid SCHEMBL9495964 0.77 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9454851 0.75 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454425 0.74 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9494062 0.74 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9709623 0.74 AGTR1 (0.42) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5236937-A Treating hypertension, congestive heart failure IMPERIAL CHEMICAL INDUSTRIES PLC (GB) 1993-08-17 US disclosed