SCHEMBL9310306

SCHEMBL9310306

CCCCc1nc(C(=O)OCC)c(C(=O)OCC)n1Cc1c2ccocc-2c(Br)c1-c1ccccc1-c1nnn[nH]1

nearest known ligand 0.48

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 7/20 0.48
AGTR2 P50052 6/20 0.48
PPARG P37231 1/20 0.33
KCNH2 Q12809 1/20 0.33

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
SCHEMBL9310894 0.94 AGTR1 (0.42) AGTR1AGTR2PPARG
SCHEMBL9310043 0.94 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9309267 0.93 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9309367 0.92 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9312813 0.90 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9309325 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9310369 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9310187 0.88 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9309706 0.88 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9309542 0.87 AGTR1 (0.39) 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