SCHEMBL8766141

SCHEMBL8766141

O=C1NC(=O)C(CCCCNC(=O)OCc2ccccc2)N1

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.57
TDO2 P48775 1/20 0.57
HTT P42858 1/20 0.54
TPSAB1 Q15661 3/20 0.53
TGM2 P21980 1/20 0.52
KEAP1 Q14145 3/20 0.50
NFE2L2 Q16236 3/20 0.50
LMNA P02545 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
FOLH1 Q04609 2/20 0.45
MAPT P10636 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GAA P10253 1/20 0.44
DPP8 Q6V1X1 1/20 0.43
DPP7 Q9UHL4 1/20 0.43

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
SCHEMBL29080074 0.92 IDO1 (0.64) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL11922749 0.90 TPSAB1 (0.62) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL17368069 0.90 TPSAB1 (0.62) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL3273999 0.87 HTT (0.60) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL15044828 0.85 TPSAB1 (0.57) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL17086813 0.85 TPSAB1 (0.59) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL24588670 0.83 IDO1 (0.52) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL24588711 0.83 IDO1 (0.52) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL7490523 0.82 IDO1 (0.49) IDO1TDO2HTTTPSAB1TGM2
SCHEMBL7490519 0.82 IDO1 (0.49) IDO1TDO2HTTTPSAB1TGM2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0664796-B1 METHOD OF PREPARING AMINOALKYLHYDANTOINS AND AMINOALKYL-ALPHA-AMINOACIDS DEGUSSA (DE) 1997-08-06 EP disclosed
US-5608076-A Method of preparing amionoakylhydantoins and aminoalkyl-alpha-amino acids DEGUSSA AKTIENGESELLSCHAFT (DE) 1997-03-04 US disclosed
EP-0664796-A1 METHOD OF PREPARING AMINOALKYLHYDANTOINS AND AMINOALKYL--g(a)-AMINOACIDS. DEGUSSA (DE) 1995-08-02 EP disclosed
WO-1994008974-A1 METHOD OF PREPARING AMINOALKYLHYDANTOINS AND AMINOALKYL-α-AMINOACIDS DEGUSSA AKTIENGESELLSCHAFT (DE) 1994-04-28 WO disclosed