SCHEMBL28871986

SCHEMBL28871986

CN(C)c1ccc(N2CCOCC2)c(C(=O)O)c1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 3/20 0.56
▸ GAA P10253 11/20 0.52
▸ KDM4E B2RXH2 8/20 0.52
▸ ALDH1A1 P00352 4/20 0.52
▸ HPGD P15428 1/20 0.52
▸ HSD17B10 Q99714 5/20 0.50
▸ RAB9A P51151 2/20 0.50
▸ PKM P14618 1/20 0.50
▸ CHRNB2 P17787 1/20 0.48
▸ CHRNA4 P43681 1/20 0.48
▸ TSHR P16473 2/20 0.46
▸ HTT P42858 2/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ TP53 P04637 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ESR2 Q92731 1/20 0.45
▸ LMNA P02545 1/20 0.44

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
SCHEMBL17559747 0.81 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17478640 0.79 SMN1; SMN2 (0.69) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL11102795 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17478643 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL3928569 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL2855312 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL17478873 0.78 GAA (0.65) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL14226837 0.78 SMN1; SMN2 (0.60) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL3931220 0.77 SMN1; SMN2 (0.56) SMN1; SMN2GAAKDM4EALDH1A1HPGD
SCHEMBL28923681 0.77 GAA (0.58) SMN1; SMN2GAAKDM4EALDH1A1HPGD

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109678815-B N-benzyl benzamide derivative and preparation method and pharmaceutical application thereof 中国药科大学 2022-11-29 — — CN disclosed
CN-109678815-A N- benzyl benzamide derivatives and preparation method thereof and pharmaceutical applications 中国药科大学 2019-04-26 — — CN disclosed
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