SCHEMBL9829720

SCHEMBL9829720

[CH2]C(=N)N1CCN(C(C)=O)CC1

nearest known ligand 0.54

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 1/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 2/20 0.44
KDM4E B2RXH2 1/20 0.44
PIK3CD O00329 1/20 0.43
CASP6 P55212 1/20 0.38
GFER P55789 1/20 0.38
KMT2A Q03164 3/20 0.37
ALDH1A1 P00352 2/20 0.37
HPGD P15428 1/20 0.37
HRH3 Q9Y5N1 1/20 0.37
EPHX2 P34913 2/20 0.36
MEN1 O00255 2/20 0.35
MAPT P10636 1/20 0.35
EPHX1 P07099 1/20 0.34

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
SCHEMBL860793 0.81 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL14407779 0.81 CYP1A2 (0.77) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL37407 0.81
SCHEMBL771501 0.79 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL10364731 0.77 CYP1A2 (0.56) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL220868 0.76 CYP1A2 (0.62) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL3249258 0.75 CYP1A2 (0.54) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL14305208 0.74 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL5420258 0.74 CYP1A2 (0.59) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD
SCHEMBL1197205 0.73 CYP1A2 (0.52) CYP1A2TDP1SMN1; SMN2KDM4EPIK3CD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP claimed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US claimed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP claimed
EP-0226304-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1991-08-28 EP disclosed
US-4757066-A Reduces renal toxicity SANKYO COMPANY LIMITED (JP) 1988-07-12 US disclosed
EP-0226304-A1 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1987-06-24 EP disclosed