SCHEMBL7102858

SCHEMBL7102858

CN1CCN(C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)c2ccccc2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.52
ITGB3 P05106 1/20 0.52
ITGA2B P08514 1/20 0.52
GAA P10253 1/20 0.49
UGCG Q16739 2/20 0.48
CYP3A4 P08684 4/20 0.47
LMNA P02545 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
TP53 P04637 2/20 0.46
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
CYP2D6 P10635 2/20 0.46
NFKB1 P19838 1/20 0.46
MAPK1 P28482 1/20 0.46
HIF1A Q16665 1/20 0.46
MAPT P10636 1/20 0.46
MTOR P42345 1/20 0.46
ALDH1A1 P00352 3/20 0.46

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
SCHEMBL7102820 0.90 OPRK1 (0.60) OPRK1ITGB3ITGA2BUGCGCYP3A4
SCHEMBL7099886 0.90 OPRK1 (0.60) OPRK1ITGB3ITGA2BUGCGCYP3A4
SCHEMBL299718 0.90 OPRK1 (0.60) OPRK1ITGB3ITGA2BUGCGCYP3A4
SCHEMBL7102877 0.89 OPRK1 (0.59) OPRK1ITGB3ITGA2BUGCGCYP3A4
SCHEMBL295478 0.87 KMT2A (0.59) OPRK1GAAUGCGCYP3A4LMNA
SCHEMBL7096072 0.87 KMT2A (0.59) OPRK1GAAUGCGCYP3A4LMNA
SCHEMBL7101189 0.87 KMT2A (0.59) OPRK1GAAUGCGCYP3A4LMNA
SCHEMBL7097077 0.86 OPRK1 (0.48) OPRK1UGCGCYP3A4LMNASMN1; SMN2
SCHEMBL7102958 0.86 OPRK1 (0.48) OPRK1UGCGCYP3A4LMNASMN1; SMN2
Hydrochloric Acid SCHEMBL294383 0.86 KMT2A (0.59) OPRK1GAAUGCGCYP3A4LMNA

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-0782992-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO CO LTD (JP) 2003-09-03 EP disclosed
US-5907039-A Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 1999-05-25 US disclosed
EP-0782992-A1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (SEIKAGAKU CORPORATION) (JP) 1997-07-09 EP disclosed