SCHEMBL9591325

SCHEMBL9591325

CCCc1nc(C)cc(=O)n1Cc1ccc(OC(C(=O)O)c2ccccc2)cc1

nearest known ligand 0.66

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.53
▸ EDNRB P24530 1/20 0.52
▸ EDNRA P25101 1/20 0.52

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
SCHEMBL9592563 0.94 EDNRB (0.49) AGTR2EDNRBEDNRA
SCHEMBL9593111 0.84 AGTR2 (0.53) AGTR2
SCHEMBL9592625 0.83 AGTR2 (0.61) AGTR2
SCHEMBL9590892 0.83 NPC1 (0.53) AGTR2
SCHEMBL9591738 0.83 GSK3B (0.50) AGTR2
SCHEMBL9591408 0.83 AGTR2 (0.50) AGTR2
SCHEMBL9592828 0.82 AGTR2 (0.49) AGTR2
SCHEMBL9594321 0.81 AGTR2 (0.49) AGTR2
SCHEMBL9088928 0.81 PPARG (0.61) AGTR2
SCHEMBL9592475 0.81 AGTR2 (0.48) AGTR2

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-5264439-A Quinazolinone, triazolinone and pyrimidinone angiotensin II antagonists incorporating a substituted benzyl element MERCK & CO., INC. (US) 1993-11-23 — — US disclosed
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