SCHEMBL9319132

SCHEMBL9319132

CCCc1nc2c(C)cc(C)nc2n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.45
AGTR2 P50052 3/20 0.45
GPR4 P46093 1/20 0.38

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
SCHEMBL9318233 0.94 AGTR1 (0.44) AGTR1AGTR2GPR4
SCHEMBL9320324 0.90 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9616386 0.87 AGTR1 (0.31) AGTR1AGTR2
SCHEMBL9317840 0.85 AGTR1 (0.37) AGTR1AGTR2GPR4
SCHEMBL9318760 0.84 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9616314 0.82 AGTR1 (0.35) AGTR1
SCHEMBL9616427 0.82
SCHEMBL9318267 0.82 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9309539 0.81 AGTR1 (0.36) AGTR1AGTR2
SCHEMBL9616286 0.81

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO claimed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 EP claimed
US-5317023-A 2-Phenyl-(imidazo(4,5-b)pyridyl-methyl-) derivatives; hypertensive agents; cognition activators GLAXO GROUP LIMITED (GB) 1994-05-31 US disclosed
WO-1992020679-A1 BENZOFURAN DERIVATIVES GLAXO GROUP LIMITED (GB) 1992-11-26 WO disclosed
EP-0514197-A1 Anti-hypertensive benzofuran derivatives substituted by N-imidazolyl-methyl groups which are condensed with optionally nitrogen containing, six-membered rings GLAXO GROUP LIMITED (GB) 1992-11-19 EP disclosed