SCHEMBL19496653

SCHEMBL19496653

CN(C)Cc1cccc(-c2ccc(N3CCOCC3)c(C(=O)O)c2)c1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ AOC3 Q16853 11/20 0.55
▸ GAA P10253 3/20 0.54
▸ KDM4E B2RXH2 2/20 0.54
▸ ALDH1A1 P00352 1/20 0.54
▸ HPGD P15428 1/20 0.54
▸ CHRNB2 P17787 1/20 0.47
▸ CHRNA4 P43681 1/20 0.47
▸ HSD17B10 Q99714 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL11368219 0.88 AOC3 (0.74) AOC3
SCHEMBL11365328 0.81 AOC3 (0.54) AOC3GAAKDM4EALDH1A1HPGD
SCHEMBL11360895 0.74 AOC3 (0.77) AOC3
SCHEMBL11363430 0.74 AOC3 (0.76) AOC3
SCHEMBL28871986 0.73 SMN1; SMN2 (0.56) GAAKDM4EALDH1A1HPGDCHRNB2
SCHEMBL28923681 0.73 GAA (0.58) GAAKDM4EALDH1A1HPGDCHRNB2
SCHEMBL15986659 0.72 AOC3 (0.48) AOC3
SCHEMBL17478640 0.72 SMN1; SMN2 (0.69) GAAKDM4EALDH1A1HPGDHSD17B10
SCHEMBL17559747 0.71 SMN1; SMN2 (0.60) GAAKDM4EALDH1A1HPGDCHRNB2
SCHEMBL10320682 0.71 AOC3 (0.74) AOC3

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
EP-2479165-B1 GLYCINE COMPOUND ASTELLAS PHARMA INC (JP) 2017-10-25 — — EP disclosed
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