SCHEMBL8876495

SCHEMBL8876495

CC(C)c1nc(-c2ccccc2)cc(-c2ccc(F)cc2)c1C=C(Br)Br

nearest known ligand 0.54

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.54
GCGR P47871 3/20 0.43
SQOR Q9Y6N5 1/20 0.42
TOP1 P11387 2/20 0.41
ADORA2A P29274 1/20 0.41
ADORA1 P30542 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
SCHEMBL8878764 0.87 HMGCR (0.44) HMGCRGCGR
SCHEMBL8875477 0.86 HMGCR (0.42) HMGCRGCGR
SCHEMBL8876862 0.86 HMGCR (0.42) HMGCRGCGRSQOR
SCHEMBL8877967 0.86 HMGCR (0.52) HMGCRGCGR
SCHEMBL8877998 0.84 HMGCR (0.43) HMGCRGCGR
SCHEMBL8876345 0.84 GCGR (0.41) HMGCRGCGR
SCHEMBL8876861 0.84 GCGR (0.46) HMGCRGCGR
SCHEMBL8878341 0.84 HMGCR (0.57) HMGCRSQORTOP1ADORA2AADORA1
SCHEMBL8225619 0.84 HMGCR (0.54) HMGCRGCGRSQORTOP1ADORA2A
SCHEMBL8846077 0.84 HMGCR (0.54) HMGCRGCGRSQORTOP1ADORA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5691322-A Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1997-11-25 US disclosed
US-5686433-A CHOLESTEROL BIOSYNTHESIS INHIBITION E.R. SQUIBB & SONS, INC. (US) 1997-11-11 US disclosed
US-5506219-A ANTICHOLESTEROL AND ANTILIPEMIC AGENTS E. R. SQUIBB & SONS, INC. (US) 1996-04-09 US disclosed
EP-0361273-B1 7-Substituted derivatives of 3,5-dihydroxyhept-6-inoic acid, process for their preparation, their use as medicaments, and intermediates HOECHST AG (DE) 1994-03-23 EP disclosed
US-5091386-A Hydroxy-3-methylglutaryl-coenzyme A reductase inhibitors HOECHST AKTIENGESELLSCHAFT (DE) 1992-02-25 US disclosed
EP-0361273-A2 7-Substituted derivatives of 3,5-dihydroxyhept-6-inoic acid, process for their preparation, their use as medicaments, and intermediates HOECHST AKTIENGESELLSCHAFT (DE) 1990-04-04 EP disclosed
EP-0356788-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1990-03-07 EP disclosed