SCHEMBL9340928

SCHEMBL9340928

CCCCc1cccc(=O)n1Cc1ccc(NC(=O)c2ccccc2C#N)cc1

nearest known ligand 0.53

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 1/20 0.43
▸ AGTR2 P50052 1/20 0.43

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
SCHEMBL9339133 0.83 TSHR (0.47) —
SCHEMBL9339131 0.80 — —
SCHEMBL9337497 0.79 PPARG (0.56) AGTR1AGTR2
SCHEMBL9337200 0.77 TSHR (0.43) AGTR1
SCHEMBL9339293 0.76 ATM (0.38) —
SCHEMBL9337412 0.76 PPARG (0.55) AGTR1AGTR2
SCHEMBL9341437 0.74 FFAR1 (0.49) —
SCHEMBL9337724 0.74 PLK1 (0.62) AGTR1
SCHEMBL9402342 0.74 — —
SCHEMBL16088655 0.73 TRPV1 (0.52) —

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-5332750-A Treatment of hypertension, aldosteronism, cardiac insufficienc y MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1994-07-26 — — US disclosed
EP-0530702-A1 1,2-dihydro-2-oxopyridines as angiotensin II antagonists MERCK PATENT GmbH (DE) 1993-03-10 — — EP disclosed
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