SCHEMBL9499333

SCHEMBL9499333

CCc1nc(CC)c(I)c(N(C)c2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c1I

nearest known ligand 0.47

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.39
AGTR2 P50052 2/20 0.34
ABCG2 Q9UNQ0 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
SCHEMBL9495019 0.89 AGTR1 (0.41) AGTR1AGTR2ABCG2
SCHEMBL9494765 0.87 AGTR1 (0.40) AGTR1AGTR2ABCG2
SCHEMBL9499344 0.80 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9494444 0.79 AGTR1 (0.41) AGTR1AGTR2ABCG2
SCHEMBL9495733 0.79 AGTR1 (0.40) AGTR1AGTR2ABCG2
SCHEMBL9496620 0.79 AGTR1 (0.36) AGTR1AGTR2ABCG2
SCHEMBL9494775 0.75 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9454840 0.75 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL30743612 0.74 ABCG2 (0.55) AGTR1ABCG2
SCHEMBL9494917 0.73 AGTR1 (0.37) AGTR1AGTR2

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