SCHEMBL7353231

SCHEMBL7353231

N=C(N)NCCC[C@@H]([C]=O)N(C(=O)OCc1ccccc1)C(=O)OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.41
CCR6 P51684 1/20 0.40
PAX8 Q06710 1/20 0.40
KEAP1 Q14145 2/20 0.39
NFE2L2 Q16236 2/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
DPP8 Q6V1X1 1/20 0.38
DPP7 Q9UHL4 1/20 0.38
SLC1A3 P43003 1/20 0.38
SLC1A1 P43005 1/20 0.38
FOLH1 Q04609 2/20 0.37
TGM2 P21980 1/20 0.37
LMNA P02545 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ANPEP P15144 1/20 0.37
ALDH1A1 P00352 1/20 0.37
PLAU P00749 1/20 0.36

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
SCHEMBL9314043 0.92 DPP8 (0.41) HTTCCR6PAX8KEAP1NFE2L2
SCHEMBL9128839 0.88 LTA4H (0.40) SIRT2DPP8DPP7SLC1A3SLC1A1
SCHEMBL11009035 0.85 HTR2C (0.39) HTTCCR6PAX8SIRT2DPP8
SCHEMBL2030163 0.84 FOLH1 (0.47) HTTCCR6PAX8SIRT2DPP8
SCHEMBL2030161 0.84 FOLH1 (0.47) HTTCCR6PAX8SIRT2DPP8
SCHEMBL7358353 0.83 DPP8 (0.40) HTTCCR6PAX8KEAP1NFE2L2
SCHEMBL29266083 0.82 FOLH1 (0.46) HTTCCR6PAX8SIRT2DPP8
SCHEMBL11079616 0.81 DPP4 (0.41) DPP8DPP7
SCHEMBL5967868 0.81 EPOR (0.44) CCR6PAX8ANPEPALDH1A1
SCHEMBL11430263 0.81 DPP4 (0.42) DPP8DPP7

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
WO-1994022911-A2 A PROCESS AND INTERMEDIATE COMPOUNDS USEFUL FOR THE PREPARATION OF PLATELET GLYCOPROTEIN IIb/IIIa INHIBITORS CONTAINING Nα-METHYLARGININE THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed
WO-1994022910-A1 CYCLIC COMPOUNDS USEFUL AS INHIBITORS OF PLATELET GLYCOPROTEIN IIb/IIIa THE DU PONT MERCK PHARMACEUTICAL COMPANY (US) 1994-10-13 WO disclosed