SCHEMBL8879628

SCHEMBL8879628

CCc1c(-c2ccccc2)nc(C(C)C)c(C(=O)O)c1-c1ccc(F)cc1

nearest known ligand 0.55

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 1/20 0.55
GCGR P47871 6/20 0.52
FABP3 P05413 1/20 0.47
FABP4 P15090 1/20 0.47
FABP5 Q01469 1/20 0.47
DPP4 P27487 1/20 0.44
DPP8 Q6V1X1 1/20 0.44
DPP9 Q86TI2 1/20 0.44

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
SCHEMBL8876019 0.88 FABP3 (0.51) DHODHGCGRFABP3FABP4FABP5
SCHEMBL8879687 0.86 FABP3 (0.50) DHODHGCGRFABP3FABP4FABP5
SCHEMBL8879109 0.85 FABP3 (0.49) DHODHGCGRFABP3FABP4FABP5
SCHEMBL8880484 0.85 DHODH (0.53) DHODHGCGRFABP3FABP4FABP5
SCHEMBL8876905 0.83 GCGR (0.76) GCGR
SCHEMBL8878254 0.81 GCGR (0.51) DHODHGCGR
SCHEMBL2651071 0.80 GCGR (0.56) GCGRFABP3FABP4FABP5DPP4
SCHEMBL8877063 0.79 GCGR (0.49) GCGR
SCHEMBL2647594 0.79 GCGR (0.70) GCGR
SCHEMBL8877773 0.78 GCGR (0.53) GCGR

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-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-0444533-A2 Quinoline and pyridine anchors for HMG-CoA reductase inhibitors E.R. SQUIBB & SONS, INC. (US) 1991-09-04 EP disclosed