SCHEMBL13985137

SCHEMBL13985137

COc1ccc2c(c1OC(N)=O)CN1CCc3cc4c(cc3C1C2)OCO4

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F3 P13726 13/20 0.84
DRD1 P21728 7/20 0.84
DRD2 P14416 5/20 0.84
CYP1A2 P05177 2/20 0.79
CYP3A4 P08684 2/20 0.79
CYP2D6 P10635 2/20 0.79
CYP2C19 P33261 2/20 0.79
DRD4 P21917 2/20 0.79
DRD5 P21918 2/20 0.79
DRD3 P35462 2/20 0.79
LMNA P02545 1/20 0.79
ADRA1A P35348 1/20 0.79
MEN1 O00255 1/20 0.79
KMT2A Q03164 1/20 0.79
HTR1A P08908 2/20 0.68
ALOX15 P16050 1/20 0.68
HIF1A Q16665 1/20 0.68
HSD17B10 Q99714 1/20 0.68
KDM4E B2RXH2 1/20 0.68
GAA P10253 1/20 0.68

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
SCHEMBL2742506 0.92 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
SCHEMBL2742549 0.89 F3 (0.82) F3DRD1DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL30484836 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Canadine SCHEMBL29365824 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL30302597 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL232164 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL14184002 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Canadine SCHEMBL432394 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
Tetrahydroberberine SCHEMBL2786492 0.88 F3 (1.00) F3DRD1DRD2CYP1A2CYP3A4
SCHEMBL2742548 0.88 F3 (0.82) F3DRD1DRD2CYP1A2CYP3A4

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
WO-2009002873-A1 COMPOUNDS, COMPOSITIONS AND METHODS FOR REDUCING LIPID LEVELS CVI PHARMACEUTICALS LIMITED (KY) 2008-12-31 WO disclosed