SCHEMBL9533736

SCHEMBL9533736

CC(C)CCc1c(C(F)F)n(CC2CCCCC2)c(=O)n1Cc1ccc(-c2ccccc2-c2nnn[nH]2)cc1

nearest known ligand 0.43

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
AGTR1 P30556 5/20 0.39
AGTR2 P50052 4/20 0.39
ADORA3 P0DMS8 1/20 0.34
SLC33A1 O00400 1/20 0.34

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
SCHEMBL9535678 0.93 AGTR1 (0.44) AGTR1AGTR2SLC33A1
SCHEMBL9530314 0.93 AGTR1 (0.44) AGTR1AGTR2
SCHEMBL9534844 0.91 AGTR1 (0.38) AGTR1AGTR2ADORA3
SCHEMBL9534180 0.91 AGTR1 (0.47) AGTR1AGTR2
SCHEMBL9554005 0.91 AGTR1 (0.40) AGTR1AGTR2ADORA3SLC33A1
SCHEMBL9555091 0.90 AGTR1 (0.40) AGTR1AGTR2ADORA3SLC33A1
SCHEMBL9554102 0.90 AGTR1 (0.40) AGTR1AGTR2ADORA3SLC33A1
SCHEMBL9531764 0.90 AGTR1 (0.40) AGTR1AGTR2ADORA3
SCHEMBL9531587 0.89 AGTR1 (0.42) AGTR1AGTR2ADORA3
SCHEMBL9035984 0.89 AGTR1 (0.38) 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 4 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
EP-0555331-A1 N-SUBSTITUTED IMIDAZOL-2-ONE COMPOUNDS FOR TREATMENT OF CIRCULATORY DISORDERS. SEARLE & CO (US) 1993-08-18 EP 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