SCHEMBL8875477

SCHEMBL8875477

Cc1cc(F)ccc1-c1cc(-c2ccccc2)nc(C(C)C)c1C=C(Br)Br

nearest known ligand 0.54

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 4/20 0.42
GCGR P47871 1/20 0.36
CTSA P10619 1/20 0.33
DHODH Q02127 1/20 0.33

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
SCHEMBL9849132 0.89 HMGCR (0.36) HMGCRCTSADHODH
SCHEMBL8876495 0.86 HMGCR (0.54) HMGCRGCGR
SCHEMBL8877862 0.85 HMGCR (0.44) HMGCRDHODH
SCHEMBL8878764 0.79 HMGCR (0.44) HMGCRGCGR
SCHEMBL8877555 0.78 HMGCR (0.48) HMGCRGCGR
SCHEMBL8877954 0.78 DHODH (0.43) HMGCRCTSADHODH
SCHEMBL8878729 0.76 SQOR (0.39) HMGCR
SCHEMBL8952918 0.76 HMGCR (0.43) HMGCRGCGR
SCHEMBL8878236 0.76 HMGCR (0.43) HMGCRGCGR
SCHEMBL8877967 0.75 HMGCR (0.52) HMGCRGCGR

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-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