SCHEMBL9709540

SCHEMBL9709540

COC(=O)c1c(Cc2ccc(-c3ccccc3-c3nnn(C(c4ccccc4)(c4ccccc4)c4ccccc4)n3)cc2)c(C2CC2)nc2ccc(C)cc12

nearest known ligand 0.46

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 3/20 0.40
AGTR1 P30556 2/20 0.37
AGTR2 P50052 1/20 0.35

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
SCHEMBL9710152 0.93 AGTR1 (0.38) AGTR1
SCHEMBL9738112 0.88 AGTR1 (0.38) AGTR1
SCHEMBL9709623 0.88 AGTR1 (0.42) PLA2G2AAGTR1
SCHEMBL9710000 0.86 AGTR1 (0.45) AGTR1
SCHEMBL9709510 0.86 AGTR1 (0.43) AGTR1
SCHEMBL9709566 0.81 AGTR1 (0.40) AGTR1
SCHEMBL9709530 0.81 AGTR1 (0.43) AGTR1
SCHEMBL9709744 0.79 AGTR1 (0.47) AGTR1
SCHEMBL9709599 0.79 AGTR1 (0.45) AGTR1
SCHEMBL9709512 0.77 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-5157040-A Treatment of hypertension, ocular hypertension and some CNS disorders MERCK & CO., INC. (US) 1992-10-20 US disclosed
EP-0507594-A1 Substituted quinolines as angiotensin II antagonists MERCK & CO. INC. (US) 1992-10-07 EP disclosed