SCHEMBL9144189

SCHEMBL9144189

CCCCc1nn(C(C)C(=O)OC)c(=O)n1Cc1ccc(-c2ccccc2C#N)cc1

nearest known ligand 0.70

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ AGTR1 P30556 4/20 0.53
▸ AGTR2 P50052 4/20 0.53
▸ PPARG P37231 1/20 0.47

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
SCHEMBL9146402 0.90 AGTR1 (0.53) AGTR1AGTR2PPARG
SCHEMBL1887989 0.86 AGTR1 (0.68) AGTR1AGTR2PPARG
SCHEMBL9030246 0.83 AGTR1 (0.57) AGTR1AGTR2
SCHEMBL9031569 0.79 AGTR1 (0.58) AGTR1AGTR2PPARG
SCHEMBL1895464 0.79 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL1896631 0.79 AGTR1 (0.57) AGTR1AGTR2PPARG
SCHEMBL1895972 0.78 AGTR1 (0.66) AGTR1AGTR2PPARG
SCHEMBL1893583 0.78 AGTR1 (0.55) AGTR1AGTR2PPARG
SCHEMBL9142219 0.78 ACHE (0.51) AGTR1AGTR2PPARG
SCHEMBL1897511 0.76 AGTR1 (0.61) AGTR1AGTR2

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-5411980-A Substituted triazolinones, triazolinethiones, and triazolinimines as angiotensin II antagonists MERCK & CO., INC. (US) 1995-05-02 — — US disclosed
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