SCHEMBL9553752

SCHEMBL9553752

CCCc1c(CF)n(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.45
AGTR2 P50052 5/20 0.45
SLC33A1 O00400 1/20 0.40

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
SCHEMBL9530909 0.96 AGTR1 (0.48) AGTR1AGTR2
SCHEMBL9555091 0.92 AGTR1 (0.40) AGTR1AGTR2SLC33A1
SCHEMBL9532838 0.92 AGTR1 (0.51) AGTR1AGTR2
SCHEMBL9531792 0.91 AGTR1 (0.45) AGTR1AGTR2SLC33A1
SCHEMBL9554922 0.90 AGTR1 (0.46) AGTR1AGTR2SLC33A1
SCHEMBL9529767 0.90 AGTR1 (0.46) AGTR1AGTR2SLC33A1
SCHEMBL9035039 0.89 AGTR2 (0.44) AGTR1AGTR2
SCHEMBL9553866 0.89 AGTR1 (0.47) AGTR1AGTR2SLC33A1
SCHEMBL9535678 0.89 AGTR1 (0.44) AGTR1AGTR2SLC33A1
SCHEMBL9530834 0.88 AGTR1 (0.54) 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 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