SCHEMBL6962452

SCHEMBL6962452

CCOC(=O)Oc1c(C(C)C)nc(C(C)C)c(CO[Si](C)(C)C(C)(C)C)c1-c1ccc(F)cc1

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 19/20 0.45
ESR1 P03372 1/20 0.39
HMGCR P04035 1/20 0.39
CHRM1 P11229 1/20 0.39
TBXA2R P21731 1/20 0.39
PDE4A P27815 1/20 0.39
ADRA1A P35348 1/20 0.39

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
SCHEMBL8953530 0.91 GCGR (0.38) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6961362 0.89 GCGR (0.35) GCGR
SCHEMBL6958555 0.86 GCGR (0.61) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6963303 0.86 GCGR (0.50) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6961105 0.85 GCGR (0.50) GCGR
SCHEMBL2647300 0.85 GCGR (0.56) GCGR
SCHEMBL6953892 0.84 GCGR (0.61) GCGR
SCHEMBL6962775 0.83 GCGR (0.48) GCGR
SCHEMBL6957684 0.82 GCGR (0.46) GCGRESR1HMGCRCHRM1TBXA2R
SCHEMBL6961744 0.81 GCGR (0.45) GCGRESR1HMGCRCHRM1TBXA2R

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
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