SCHEMBL9468538

SCHEMBL9468538

CCCCc1n[nH]c(COC)c1Cc1ccc2c(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)oc(Br)c2c1

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 2/20 0.39
PTPN1 P18031 1/20 0.31

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
SCHEMBL9468535 0.92 AGTR1 (0.43) AGTR1
SCHEMBL9468062 0.84 AGTR1 (0.36) AGTR1
SCHEMBL9246337 0.84 AGTR1 (0.48) AGTR1
SCHEMBL9468171 0.83 AGTR1 (0.36) AGTR1
SCHEMBL9154675 0.77 AGTR1 (0.47) AGTR1
SCHEMBL8545586 0.76 AGTR1 (0.38) AGTR1
SCHEMBL9468052 0.76 AGTR1 (0.39) AGTR1
SCHEMBL9481760 0.76 AGTR1 (0.44) AGTR1
Hydrazine SCHEMBL9539110 0.75 AGTR1 (0.45) AGTR1
SCHEMBL9310410 0.75 AGTR1 (0.42) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5252593-A Hypotensive agents, cognition activators GLAXO GROUP LIMITED (GB) 1993-10-12 US disclosed
EP-0514217-A1 Antihypertensive benzofuran derivatives carrying 4-pyrazolylmethyl substituents GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed