SCHEMBL9592923

SCHEMBL9592923

CCCCc1nc(C)cc(=O)n1Cc1ccc(OC(c2nnn[nH]2)c2ccccc2C)cc1

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 3/20 0.41
▸ AGTR2 P50052 3/20 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
SCHEMBL9591379 0.93 AGTR2 (0.41) AGTR1AGTR2
SCHEMBL9592109 0.92 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9591498 0.92 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9592770 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9592120 0.91 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9590665 0.90 PDE4A (0.39) AGTR1AGTR2
SCHEMBL9592968 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9590924 0.85 AGTR2 (0.38) AGTR1AGTR2
SCHEMBL9590479 0.82 — —
SCHEMBL9593111 0.80 AGTR2 (0.53) 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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