SCHEMBL9554185

SCHEMBL9554185

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

nearest known ligand 0.42

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.42
AGTR2 P50052 5/20 0.42
SLC33A1 O00400 1/20 0.39

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
SCHEMBL9534553 0.95 AGTR1 (0.46) AGTR1AGTR2
SCHEMBL9554303 0.94 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9555169 0.93 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9531278 0.90 AGTR1 (0.43) AGTR1AGTR2SLC33A1
SCHEMBL9554526 0.89 AGTR1 (0.45) AGTR1AGTR2
SCHEMBL9554276 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9529804 0.88 AGTR1 (0.40) AGTR1AGTR2
SCHEMBL9037373 0.88 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9035507 0.87 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9553797 0.87 AGTR1 (0.45) AGTR1AGTR2SLC33A1

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 3 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
WO-1992007834-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS G.D. SEARLE & CO. (US) 1992-05-14 WO 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