SCHEMBL9859664

SCHEMBL9859664

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

nearest known ligand 0.64

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 3/20 0.64
AGTR2 P50052 2/20 0.43

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
SCHEMBL9309925 0.94 AGTR1 (0.58) AGTR1AGTR2
SCHEMBL9309733 0.93 AGTR1 (0.62) AGTR1AGTR2
SCHEMBL9694909 0.93 AGTR1 (0.64) AGTR1AGTR2
SCHEMBL9309852 0.92 AGTR1 (0.74) AGTR1AGTR2
SCHEMBL9859950 0.91 AGTR1 (0.61) AGTR1
SCHEMBL9859635 0.91 AGTR1 (0.61) AGTR1
SCHEMBL9860039 0.90 AGTR1 (0.58) AGTR1
SCHEMBL9714907 0.90 AGTR1 (0.60) AGTR1AGTR2
SCHEMBL9309789 0.89 AGTR1 (0.68) AGTR1AGTR2
SCHEMBL9310092 0.88 AGTR1 (0.65) 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
EP-0434249-A2 Benzofuran derivatives GLAXO GROUP LIMITED (GB) 1991-06-26 EP disclosed