SCHEMBL7961541

SCHEMBL7961541

FC(F)(F)c1ccc(OC2CCN(c3ccncc3)CC2)nc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LIPG Q9Y5X9 1/20 0.53
LIPE Q05469 8/20 0.52
CYP3A4 P08684 5/20 0.46
HRH4 Q9H3N8 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
EPHX2 P34913 1/20 0.43
HSD11B1 P28845 1/20 0.43
GPR119 Q8TDV5 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42

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 0.93 LIPG (0.60) LIPGLIPECYP3A4HRH3HSD11B1
SCHEMBL7956524 0.93 LIPG (0.60) LIPGLIPECYP3A4HRH3HSD11B1
SCHEMBL7961497 0.93 LIPG (0.60) LIPGLIPECYP3A4HRH3HSD11B1
SCHEMBL13279901 0.86 LIPG (0.55) LIPGLIPECYP3A4HRH3EPHX2
SCHEMBL7956670 0.85 LIPG (0.52) LIPGLIPEHRH3
SCHEMBL7954969 0.82 LIPG (0.53) LIPGLIPEHRH3
SCHEMBL7958355 0.81 HRH3 (0.42) HRH3
SCHEMBL7956692 0.81 FPR2 (0.47) HRH3GPR119
SCHEMBL7956483 0.81 HRH3 (0.44) HRH3GPR119
SCHEMBL20070180 0.80 LIPE (0.57) LIPGLIPEEPHX2HSD11B1

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