SCHEMBL7102877

SCHEMBL7102877

O=C(N[C@H](CN1CCCCC1)[C@H](O)c1ccccc1)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 4/20 0.59
UGCG Q16739 7/20 0.55
ITGB3 P05106 1/20 0.48
ITGA2B P08514 1/20 0.48
ALDH1A1 P00352 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
TSHR P16473 1/20 0.46
RAB9A P51151 1/20 0.46
HSD17B10 Q99714 1/20 0.46
TP53 P04637 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
MAPK1 P28482 1/20 0.45
CYP2C19 P33261 1/20 0.45
HIF1A Q16665 1/20 0.45
MEN1 O00255 1/20 0.45

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 0.99 OPRK1 (0.60) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7099886 0.99 OPRK1 (0.60) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL299718 0.99 OPRK1 (0.60) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL17122952 0.93 UGCG (0.55) OPRK1UGCGITGB3ITGA2BCYP3A4
SCHEMBL12407050 0.91 TP53 (0.53) OPRK1UGCGITGB3ITGA2BTP53
SCHEMBL7923099 0.91 TP53 (0.53) OPRK1UGCGITGB3ITGA2BTP53
SCHEMBL7925792 0.90 OPRK1 (0.54) OPRK1UGCGITGB3ITGA2BCYP3A4
SCHEMBL17635995 0.89 UGCG (0.61) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7925240 0.89 UGCG (0.61) OPRK1UGCGITGB3ITGA2BALDH1A1
SCHEMBL7101189 0.89 KMT2A (0.59) OPRK1UGCGALDH1A1CYP1A2CYP3A4

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 4 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-6335444-B1 Amino alcohol derivative and method for preparing the same SEIKAGAKU KOGYO KABUSHIKI KAISHA (JP) 2002-01-01 US 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