SCHEMBL10129522

SCHEMBL10129522

CC(C)c1nc(N(C)C)nc(-c2ccc(F)cc2)c1CO

nearest known ligand 0.57

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
GCGR P47871 18/20 0.57
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
PDE6D O43924 1/20 0.41
NR1I2 O75469 1/20 0.41
HMGCR P04035 1/20 0.41
PDE4D Q08499 1/20 0.41

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
SCHEMBL14045937 0.89 GCGR (0.54) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129495 0.87 GCGR (0.43) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL20146246 0.87 GCGR (0.43) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL20146255 0.85 GCGR (0.41) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10434301 0.84 GCGR (0.41) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL29482554 0.84 HMGCR (0.58) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL2690 0.84 HMGCR (0.58) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL10129253 0.84 GCGR (0.45) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL15024689 0.83 GCGR (0.49) GCGRALDH1A1CYP3A4PDE6DNR1I2
SCHEMBL8204817 0.82 GCGR (0.48) GCGRALDH1A1CYP3A4PDE6DNR1I2

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-2423195-A1 Process for the preparation of key intermediates for the synthesis of statins or pharmaceutically acceptable salts thereof LEK Pharmaceuticals d.d. (SI) 2012-02-29 EP disclosed
WO-2012013325-A1 PROCESS FOR THE PREPARATION OF KEY INTERMEDIATES FOR THE SYNTHESIS OF STATINS OR PHARMACEUTICALLY ACCEPTABLE SALTS THEREOF LEK PHARMACEUTICALS D.D. (SI) 2012-02-02 WO disclosed
EP-0367895-A1 Pyrimidinyl-substituted hydroxyacids, lactones and esters and pharmaceutical compositions containing them SANDOZ AG (CH) 1990-05-16 EP disclosed