SCHEMBL8878764

SCHEMBL8878764

Cc1ccccc1-c1cc(-c2ccc(F)cc2)c(C=C(Br)Br)c(C(C)C)n1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HMGCR P04035 6/20 0.44
GCGR P47871 4/20 0.41
NR3C1 P04150 1/20 0.36
PGR P06401 1/20 0.36
MAPT P10636 1/20 0.36

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
SCHEMBL8876862 0.88 HMGCR (0.42) HMGCRGCGR
SCHEMBL8876495 0.87 HMGCR (0.54) HMGCRGCGR
SCHEMBL8877967 0.86 HMGCR (0.52) HMGCRGCGR
SCHEMBL8877998 0.85 HMGCR (0.43) HMGCRGCGR
SCHEMBL8876796 0.85 HMGCR (0.46) HMGCRGCGRNR3C1PGRMAPT
SCHEMBL8876861 0.81 GCGR (0.46) HMGCRGCGR
SCHEMBL8878262 0.81 HMGCR (0.52) HMGCRGCGRMAPT
SCHEMBL8876732 0.81 GCGR (0.44) HMGCRGCGR
SCHEMBL8877601 0.80 MAPT (0.42) HMGCRGCGRMAPT
SCHEMBL8877081 0.79 HMGCR (0.41) HMGCRGCGRMAPT

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