SCHEMBL9554571

SCHEMBL9554571

CC(C)CCc1c(CF)n(C(C)C)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.42

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.38
AGTR2 P50052 5/20 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
SCHEMBL9536768 0.93 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9553721 0.92 AGTR1 (0.41) AGTR1AGTR2
SCHEMBL9036543 0.91 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9529016 0.90 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9532905 0.90 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9553891 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9529983 0.90 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9034772 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9553917 0.89 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9533009 0.89 AGTR1 (0.39) 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