SCHEMBL9358392

SCHEMBL9358392

N[C@@H](CCCCNC(=O)N1CCOCC1)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.56
GAA P10253 1/20 0.48
LMNA P02545 2/20 0.47
KDM4E B2RXH2 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
DRD2 P14416 2/20 0.42
DRD3 P35462 2/20 0.42
ADRA1A P35348 1/20 0.42
OTC P00480 1/20 0.41
GSR P00390 1/20 0.41
RAB9A P51151 1/20 0.41

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
SCHEMBL9358386 1.00 HTT (0.56) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL1769490 0.90 HTT (0.53) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL1769493 0.90 HTT (0.53) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL1799638 0.86 HTT (0.54) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL1768811 0.84 HTT (0.48) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL1768813 0.84 HTT (0.48) HTTLMNASMN1; SMN2KMT2AMEN1
SCHEMBL23981462 0.83 SMN1; SMN2 (0.64) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL19115061 0.83 DPP7 (0.42) HTTKMT2AMEN1TSHRDRD2
SCHEMBL29220797 0.83 SMN1; SMN2 (0.64) HTTGAALMNAKDM4ESMN1; SMN2
SCHEMBL25360385 0.83 DRD2 (0.44) HTTKDM4EKMT2AMEN1ALDH1A1

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-0394989-B1 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-21 EP claimed
EP-0394989-A2 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP claimed
EP-0394989-B1 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO (JP) 1994-12-21 EP disclosed
EP-0394989-A2 Peptide compounds, process for preparation thereof and pharmaceutical composition comprising the same FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1990-10-31 EP disclosed