SCHEMBL9570940

SCHEMBL9570940

CCCCNCc1c(C)cc(CCCC)n(-c2ccccc2-c2ccccc2-c2nnn[nH]2)c1=O

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.33
AGTR2 P50052 1/20 0.33
POLB P06746 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
BRD9 Q9H8M2 1/20 0.30
BRD7 Q9NPI1 1/20 0.30

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
SCHEMBL9571074 0.92 AGTR1 (0.33) AGTR1AGTR2POLB
SCHEMBL9570941 0.89 AGTR1 (0.32) AGTR1AGTR2POLBL3MBTL1
SCHEMBL9233694 0.88 SETDB1 (0.35) AGTR1AGTR2
SCHEMBL9570928 0.88 AGTR1 (0.33) AGTR1AGTR2POLBL3MBTL1
SCHEMBL9570981 0.87 POLB (0.31) AGTR1AGTR2POLBL3MBTL1
SCHEMBL9570987 0.86 AGTR1 (0.33) AGTR1AGTR2
SCHEMBL9571028 0.85 AGTR1 (0.34) AGTR1AGTR2
SCHEMBL9571018 0.84 AKT1 (0.36) AGTR1AGTR2POLBL3MBTL1
SCHEMBL9570970 0.82 MEN1 (0.36) AGTR1AGTR2POLBL3MBTL1
SCHEMBL9232782 0.82 AGTR1 (0.30) 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-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 EP disclosed