SCHEMBL9716819

SCHEMBL9716819

NCCCCC(C(=O)O)N(C(=O)c1ccc(N)cc1)C(=O)c1ccc(N)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
F2 P00734 1/20 0.40
GSR P00390 1/20 0.39
RNPEP Q9H4A4 1/20 0.38
CPB2 Q96IY4 4/20 0.37
ADRA2C P18825 1/20 0.37
ERAP2 Q6P179 4/20 0.35
LNPEP Q9UIQ6 4/20 0.35
ERAP1 Q9NZ08 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
HIF1A Q16665 1/20 0.34
SLC22A6 Q4U2R8 1/20 0.34
SLC22A8 Q8TCC7 1/20 0.34
CPB1 P15086 1/20 0.34
MMP2 P08253 1/20 0.34
MMP9 P14780 1/20 0.34
TERT O14746 2/20 0.34
EPOR P19235 1/20 0.33

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
SCHEMBL9716829 1.00 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716633 0.95 ADRA2C (0.38) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716649 0.95 ADRA2C (0.38) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716611 0.88 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716619 0.88 F2 (0.40) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716623 0.88 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL1387992 0.88 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL7321837 0.88 F2 (0.50) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716660 0.87 F2 (0.42) F2GSRRNPEPCPB2ADRA2C
SCHEMBL9716674 0.84 SLC7A5 (0.39) F2CPB2ADRA2CERAP2LNPEP

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
EP-0178911-B1 COMPOSITION CONTAINING A PENEM OR CARBAPENEM ANTIBIOTIC SANKYO COMPANY LIMITED (JP) 1992-01-22 EP disclosed
EP-0178911-A2 Composition containing a penem or carbapenem antibiotic SANKYO COMPANY LIMITED (JP) 1986-04-23 EP disclosed