SCHEMBL9709623

SCHEMBL9709623

CCCc1nc2ccc(C)cc2c(C(=O)OC)c1Cc1ccc(-c2ccccc2-c2nnn(C(c3ccccc3)(c3ccccc3)c3ccccc3)n2)cc1

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 1/20 0.42
PLA2G2A P14555 2/20 0.41

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
SCHEMBL9710000 0.96 AGTR1 (0.45) AGTR1
SCHEMBL9709510 0.95 AGTR1 (0.43) AGTR1
SCHEMBL9709530 0.93 AGTR1 (0.43) AGTR1
SCHEMBL9709744 0.89 AGTR1 (0.47) AGTR1
SCHEMBL9709599 0.88 AGTR1 (0.45) AGTR1
SCHEMBL9709566 0.88 AGTR1 (0.40) AGTR1
SCHEMBL9709575 0.88 AGTR1 (0.43) AGTR1
SCHEMBL9709540 0.88 PLA2G2A (0.40) AGTR1PLA2G2A
SCHEMBL9709777 0.86 AGTR1 (0.43) AGTR1
SCHEMBL9738162 0.84 AGTR1 (0.47) 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