SCHEMBL9494067

SCHEMBL9494067

COC(=O)c1c(N(C)c2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)cc(C)nc1C

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.42
AGTR2 P50052 1/20 0.42
TACR1 P25103 2/20 0.33
EDNRB P24530 2/20 0.32
EDNRA P25101 2/20 0.32
NR1I2 O75469 1/20 0.32
KCNE1 P15382 1/20 0.32
KCNQ1 P51787 1/20 0.32
POLB P06746 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL9497035 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9499263 0.84 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9496620 0.84 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9454425 0.81 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9494917 0.81 AGTR1 (0.37) AGTR1AGTR2EDNRBEDNRAPOLB
SCHEMBL9494062 0.81 AGTR1 (0.66) AGTR1AGTR2
SCHEMBL9455081 0.75 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9454842 0.75 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9455048 0.75 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9454891 0.75 AGTR1 (0.42) 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