SCHEMBL29225417

SCHEMBL29225417

COc1ccc2c(c1O)[C@]13CCN(C)[C@@H](C2)[C@@H]1CC(OC)C(=O)C3

nearest known ligand 0.69

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.69
MRGPRX2 Q96LB1 2/20 0.60
KDM4E B2RXH2 1/20 0.60
CYP3A4 P08684 1/20 0.60
MAPT P10636 1/20 0.60
CYP2D6 P10635 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
OPRM1 P35372 10/20 0.49
OPRD1 P41143 9/20 0.49
OPRK1 P41145 6/20 0.49
LMNA P02545 1/20 0.49
PDE4D Q08499 1/20 0.49

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
SCHEMBL5918342 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL12013635 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL12013638 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL5918336 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL12006853 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL5918357 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL14242321 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL14242320 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL4114954 1.00 GAA (0.69) GAAMRGPRX2KDM4ECYP3A4MAPT
SCHEMBL20826980 0.92 GAA (0.59) GAAMRGPRX2KDM4ECYP3A4MAPT

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
CN-117865891-A Sinomenine eutectic crystal and preparation method thereof 怀化学院 2024-04-12 CN disclosed