SCHEMBL9309931

SCHEMBL9309931

CCCCc1nc(CCC)c(C(=O)OCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn(C(c2ccccc2)(c2ccccc2)c2ccccc2)n1

nearest known ligand 0.39

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 10/20 0.39
AGTR2 P50052 8/20 0.39
AGT P01019 1/20 0.34

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
SCHEMBL9859673 0.94 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9308308 0.93 AGTR1 (0.38) AGTR1AGTR2AGT
SCHEMBL9310878 0.92 AGTR1 (0.40) AGTR1AGTR2AGT
SCHEMBL9310800 0.92 AGTR1 (0.36) AGTR1AGTR2AGT
SCHEMBL9310466 0.91 AGTR1 (0.37) AGTR1AGTR2AGT
SCHEMBL9312195 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9694922 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9309746 0.88 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9308994 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309675 0.87 AGTR1 (0.40) 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-5374646-A Treatment or prophylasix of hypertension and diseases associated with cognitive disorders GLAXO GROUP LIMITED (GB) 1994-12-20 US disclosed