SCHEMBL9716649

SCHEMBL9716649

NCCC[C@@H](C(=O)O)N(C(=O)c1ccc(N)cc1)C(=O)c1ccc(N)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2C P18825 1/20 0.38
F2 P00734 1/20 0.36
KDM4E B2RXH2 1/20 0.35
MAPT P10636 1/20 0.35
HIF1A Q16665 1/20 0.35
SLC22A6 Q4U2R8 1/20 0.35
SLC22A8 Q8TCC7 1/20 0.35
CPB2 Q96IY4 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
KIF11 P52732 1/20 0.33
LMNA P02545 2/20 0.33
CYP1A2 P05177 2/20 0.33
CYP3A4 P08684 2/20 0.33
CYP2C9 P11712 1/20 0.33
TSHR P16473 1/20 0.33
CYP2C19 P33261 1/20 0.33
PDE4D Q08499 1/20 0.33
MAOA P21397 1/20 0.33
GSR P00390 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
SCHEMBL9716633 1.00 ADRA2C (0.38) ADRA2CF2KDM4EMAPTHIF1A
SCHEMBL9716829 0.95 F2 (0.40) ADRA2CF2KDM4EMAPTHIF1A
SCHEMBL9716819 0.95 F2 (0.40) ADRA2CF2KDM4EMAPTHIF1A
SCHEMBL9716674 0.88 SLC7A5 (0.39) ADRA2CF2MAPTHIF1ACPB2
SCHEMBL9716685 0.88 SLC7A5 (0.39) ADRA2CF2MAPTHIF1ACPB2
SCHEMBL15484293 0.88 ADRA2C (0.50) ADRA2CF2CPB2TSHRHTR2A
SCHEMBL9716684 0.88 ADRA2C (0.50) ADRA2CF2CPB2TSHRHTR2A
SCHEMBL9716679 0.88 ADRA2C (0.50) ADRA2CF2CPB2TSHRHTR2A
SCHEMBL9716737 0.87 ALDH1A1 (0.38) ADRA2CF2MAPTNPC1RAB9A
SCHEMBL9716619 0.84 F2 (0.40) ADRA2CF2HIF1ACPB2NPC1

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