SCHEMBL27655693

SCHEMBL27655693

[CH2]C(O)CN1CCN(CC)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
ALDH1A1 P00352 2/20 0.41
TP53 P04637 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
MAPT P10636 1/20 0.33
ATM Q13315 1/20 0.33
PIK3CD O00329 1/20 0.33
USP2 O75604 1/20 0.33
CHRNA7 P36544 1/20 0.33
HSD11B1 P28845 1/20 0.33
DUSP3 P51452 2/20 0.32
PTPN5 P54829 2/20 0.32
PTPN11 Q06124 2/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 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
SCHEMBL665251 0.81 GAA (0.48) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL665708 0.81 GAA (0.48) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL665796 0.81 GAA (0.48) MEN1KMT2AALDH1A1MAPTATM
SCHEMBL18975217 0.78 DRD2 (0.42) MEN1KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL763968 0.78 DRD2 (0.42) MEN1KMT2AL3MBTL1ALDH1A1TP53
SCHEMBL27655695 0.77 MEN1 (0.38) MEN1KMT2AALDH1A1SMN1; SMN2MAPT
SCHEMBL4373095 0.77
SCHEMBL1504812 0.77
SCHEMBL1829243 0.77
SCHEMBL4388841 0.77

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
CN-1890238-A Hydronopol derivatives as agonists on human ORL1 receptors SOLVAY PHARM GMBH (DE) 2007-01-03 CN disclosed