SCHEMBL9554374

SCHEMBL9554374

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

nearest known ligand 0.41

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.36
AGTR2 P50052 5/20 0.36

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
SCHEMBL9554161 0.92 AGTR1 (0.39) AGTR1AGTR2
SCHEMBL9553900 0.91 AGTR1 (0.43) AGTR1AGTR2
SCHEMBL9533697 0.90 AGTR1 (0.35) AGTR1AGTR2
SCHEMBL9554176 0.90 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9554072 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9533442 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9554229 0.89 AGTR1 (0.37) AGTR1AGTR2
SCHEMBL9036449 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9553524 0.89 AGTR1 (0.38) AGTR1AGTR2
SCHEMBL9532050 0.88 AGTR1 (0.36) 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