SCHEMBL9554255

SCHEMBL9554255

CCCCc1c(C(=O)O)n(C(=O)C2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.45

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 8/20 0.44
AGTR2 P50052 7/20 0.44
PPARG P37231 1/20 0.41

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
SCHEMBL9553767 0.96 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9530263 0.91 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9530645 0.91 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9553814 0.90 AGTR1 (0.40) AGTR1AGTR2PPARG
SCHEMBL9531033 0.90 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9036990 0.90 AGTR1 (0.46) AGTR1AGTR2PPARG
SCHEMBL9554389 0.90 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9530112 0.89 AGTR1 (0.43) AGTR1AGTR2PPARG
SCHEMBL9554035 0.88 AGTR1 (0.44) AGTR1AGTR2PPARG
SCHEMBL9553916 0.88 AGTR1 (0.44) AGTR1AGTR2PPARG

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-5238952-A Treating glaucoma disorders G. D. SEARLE & CO. (US) 1993-08-24 US disclosed