SCHEMBL9592501

SCHEMBL9592501

CCCCn1nc(CCC)n(Cc2ccc(OC(c3nnn[nH]3)c3ccccc3Cl)cc2)c1=O

nearest known ligand 0.48

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 15/20 0.48
▸ AGTR2 P50052 15/20 0.48

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
SCHEMBL9591691 0.92 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9592511 0.92 AGTR2 (0.46) AGTR1AGTR2
SCHEMBL9590540 0.90 AGTR1 (0.52) AGTR1AGTR2
SCHEMBL9592870 0.89 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9592428 0.88 AGTR1 (0.54) AGTR1AGTR2
SCHEMBL9591826 0.86 AGTR1 (0.49) AGTR1AGTR2
SCHEMBL9590350 0.85 — —
SCHEMBL9591743 0.84 AGTR2 (0.38) AGTR1AGTR2
SCHEMBL9591982 0.80 AGTR2 (0.60) AGTR1AGTR2
SCHEMBL9592185 0.80 — —

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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