SCHEMBL6958682

SCHEMBL6958682

CC(C)c1nc(C(C)C)c(COCc2ccccc2)c(-c2ccc(F)cc2)c1C=O

nearest known ligand 0.53

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
AR P10275 15/20 0.53
GCGR P47871 4/20 0.50
ESR1 P03372 1/20 0.48
HMGCR P04035 1/20 0.48
CHRM1 P11229 1/20 0.48
TBXA2R P21731 1/20 0.48
PDE4A P27815 1/20 0.48
ADRA1A P35348 1/20 0.48

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
SCHEMBL6963764 0.90 ESR1 (0.50) ARGCGRESR1HMGCRCHRM1
SCHEMBL9261550 0.90 ESR1 (0.50) ARGCGRESR1HMGCRCHRM1
SCHEMBL8846069 0.89 GCGR (0.50) ARGCGRESR1HMGCRCHRM1
SCHEMBL7077308 0.84 GCGR (0.67) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6958229 0.83 GCGR (0.70) GCGR
SCHEMBL9270541 0.80 HMGCR (0.62) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9270549 0.80 HMGCR (0.62) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL7081668 0.79 GCGR (0.50) ARGCGRESR1HMGCRCHRM1
SCHEMBL6956310 0.79 HMGCR (0.60) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL9265076 0.79 GCGR (0.56) ARGCGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0325130-B1 Substituted pyridines BAYER AG (DE) 2003-11-05 EP disclosed
EP-1123925-A1 Process for preparation of substituted pyridines BAYER AG (DE) 2001-08-16 EP disclosed
EP-1123924-A1 Substituted pyridines as HMG-COA reductase inhibitors BAYER AG (DE) 2001-08-16 EP disclosed
CN-1055684-C Process for preparing substituted pyridine compounds BAYER AG (DE) 2000-08-23 CN disclosed
US-5401746-A FOR INHIBITING CHOLESTEROL BIOSYNTHESIS AND HMG-COA REDUCTASE BAYER AKTIENGESELLSCHAFT (DE) 1995-03-28 US disclosed
US-5169857-A Anticholesterol agents BAYER AKTIENGESELLSCHAFT (DE) 1992-12-08 US disclosed
US-5006530-A Certain 7-[2,6-diisopropyl-4-phenyl-5-lower alkoxymethyl-pyrid-3-yl]-3,5-dihydroxy-6-enoates and derivatives useful for treating circulatory diseases BAYER AKTIENGESELLSCHAFT (DE) 1991-04-09 US disclosed
CN-1034364-A Substituted pyridines and process for their preparation BAYER AG (DE) 1989-08-02 CN disclosed
EP-0325130-A2 Substituted pyridines BAYER AG (DE) 1989-07-26 EP disclosed