SCHEMBL8564397

SCHEMBL8564397

CCOC(=O)CCC(C#N)(OC1CCCCO1)c1ccc(Cl)c(Cl)c1

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 6/20 0.38
OPRK1 P41145 3/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
OPRM1 P35372 1/20 0.35
TSHR P16473 2/20 0.34
SLC6A2 P23975 2/20 0.34
SLC6A4 P31645 2/20 0.34
MEN1 O00255 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32
SSTR3 P32745 1/20 0.32

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
SCHEMBL8969658 0.88 SLC6A3 (0.36) SLC6A3OPRK1MEN1KMT2ASSTR3
SCHEMBL6952332 0.83 SLC6A3 (0.36) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8484373 0.81 MEN1 (0.38) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL4631283 0.80 SSTR3 (0.39) SLC6A3OPRK1OPRM1SLC6A2SLC6A4
SCHEMBL6947257 0.80 SLC6A3 (0.37) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL8485274 0.80 MEN1 (0.36) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL6543753 0.80 MEN1 (0.38) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL7750432 0.79 SCN1A (0.38) SLC6A3MEN1KMT2ASSTR3
SCHEMBL7956480 0.79 MEN1 (0.39) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1
SCHEMBL9028546 0.76 SLC6A3 (0.39) SLC6A3OPRK1SMN1; SMN2KDM4EALDH1A1

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
US-5726313-A Substituted arylaliphatic compounds, method of preparing them and pharmaceutical compositions in which they are present SANOFI (FR) 1998-03-10 US disclosed