SCHEMBL7947575

SCHEMBL7947575

FC(F)(F)c1ccc(OC2CCN(c3ccncn3)C2)nc1

nearest known ligand 0.57

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.57
HRH3 Q9Y5N1 3/20 0.48
LIPE Q05469 6/20 0.45
HSD11B1 P28845 3/20 0.44
CYP3A4 P08684 2/20 0.43
KDM4E B2RXH2 1/20 0.41
ABL1 P00519 1/20 0.41
LMNA P02545 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
SCD O00767 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
SCHEMBL7956252 0.85 LIPG (0.60) LIPGHRH3LIPEHSD11B1CYP3A4
SCHEMBL7961497 0.85 LIPG (0.60) LIPGHRH3LIPEHSD11B1CYP3A4
SCHEMBL7956524 0.85 LIPG (0.60) LIPGHRH3LIPEHSD11B1CYP3A4
SCHEMBL7956574 0.83 LIPG (0.57) LIPGHRH3LIPEHSD11B1SCD
SCHEMBL7947501 0.81 LIPG (0.61) LIPGHRH3LIPEHSD11B1SCD
SCHEMBL7961541 0.80 LIPG (0.53) LIPGHRH3LIPEHSD11B1CYP3A4
SCHEMBL425198 0.76 HRH3 (0.56) LIPGHRH3CYP3A4KDM4EABL1
SCHEMBL29240878 0.76 LIPG (0.57) LIPGHRH3LIPEHSD11B1SCD
SCHEMBL7961398 0.76 LIPG (0.57) LIPGHRH3LIPEHSD11B1SCD
SCHEMBL29240882 0.76 LIPG (0.57) LIPGHRH3LIPEHSD11B1SCD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6313127-B1 FOR THERAPY OF HYPERCHOLESTEROLEMIA OR ATHEROSCLEROSIS ZENECA LIMITED (GB) 2001-11-06 US disclosed