SCHEMBL9554228

SCHEMBL9554228

CCCc1c(C(OC)OC)n(C(C)(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 6/20 0.38
AGTR2 P50052 6/20 0.38

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
SCHEMBL9554495 0.95 AGTR1 (0.42) AGTR1AGTR2
SCHEMBL9533697 0.92 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9554161 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9037373 0.89 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9529804 0.89 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9035507 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9554276 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9555169 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9533841 0.87 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9035422 0.87 AGTR1 (0.43) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5238952-A Treating glaucoma disorders G. D. SEARLE & CO. (US) 1993-08-24 US disclosed
US-5087634-A N-substituted imidazol-2-one compounds for treatment of circulatory disorders G. D. SEARLE & CO. (US) 1992-02-11 US disclosed