SCHEMBL7950368

SCHEMBL7950368

COC(=O)[C@@H](N)Cc1cn(On2cnc(C[C@H](N)C(=O)OC)c2)cn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CPB2 Q96IY4 8/20 0.35
CPB1 P15086 4/20 0.34
ALDH1A1 P00352 1/20 0.34
SIRT2 Q8IXJ6 6/20 0.33
PTGS2 P35354 2/20 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
Hydrochloric Acid SCHEMBL2939066 0.99 ALDH1A1 (0.36) CPB2CPB1ALDH1A1SIRT2PTGS2
SCHEMBL2736340 0.84 CYP2C9 (0.44) CPB2CPB1ALDH1A1
SCHEMBL1693106 0.84 CYP2C9 (0.44) CPB2CPB1ALDH1A1
SCHEMBL14019686 0.82 CPB2 (0.35) CPB2CPB1ALDH1A1SIRT2PTGS2
Hydrochloric Acid SCHEMBL29400350 0.82 TDP1 (0.45) CPB2CPB1ALDH1A1
SCHEMBL8348975 0.79 CPB2 (0.57) CPB2CPB1
SCHEMBL15307666 0.79 SIRT2 (0.40) CPB2CPB1ALDH1A1SIRT2
SCHEMBL13617438 0.77 CPB2 (0.59) CPB2CPB1SIRT2
SCHEMBL30786466 0.77 CPB2 (0.37) CPB2CPB1SIRT2
SCHEMBL8349095 0.77 CPB2 (0.44) CPB2CPB1

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
WO-2001078751-A1 ANTIVIRAL AND ANTIBACTERIAL PHARMACEUTICAL PREPARATION 'ARMENICUM' AND ITS USE FOR TREATMENT OF INFECTIOUS DISEASES 'ARMENICUM+' JSC (AM) 2001-10-25 WO disclosed