SCHEMBL9309925

SCHEMBL9309925

CCCCc1nc(CCC)c(C(=O)OCC)n1Cc1ccc2oc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)c(Br)c2c1

nearest known ligand 0.58

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.58
AGTR2 P50052 1/20 0.45

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
SCHEMBL9859664 0.94 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9308297 0.93 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9310870 0.92 AGTR1 (0.65) AGTR1AGTR2
SCHEMBL9310796 0.92 AGTR1 (0.56) AGTR1AGTR2
SCHEMBL9310458 0.91 AGTR1 (0.55) AGTR1AGTR2
SCHEMBL9694909 0.89 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9309733 0.88 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9308989 0.88 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9694889 0.88 AGTR1 (0.54) AGTR1
SCHEMBL9859950 0.88 AGTR1 (0.61) 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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed