SCHEMBL7358353

SCHEMBL7358353

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

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DPP8 Q6V1X1 3/20 0.40
DPP7 Q9UHL4 3/20 0.40
SLC1A3 P43003 1/20 0.40
SLC1A1 P43005 1/20 0.40
ANPEP P15144 1/20 0.39
NPY4R P50391 6/20 0.38
DPP4 P27487 2/20 0.38
DPP9 Q86TI2 2/20 0.38
NPY1R P25929 4/20 0.38
NPY2R P49146 3/20 0.37
NPY5R Q15761 3/20 0.37
HTT P42858 1/20 0.36
CCR6 P51684 1/20 0.35
PAX8 Q06710 1/20 0.35
SIRT2 Q8IXJ6 1/20 0.35
KEAP1 Q14145 1/20 0.35
NFE2L2 Q16236 1/20 0.35

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 0.91 DPP8 (0.41) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL9128839 0.87 LTA4H (0.40) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL27892485 0.83 NPY4R (0.42) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL7353231 0.83 HTT (0.41) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL29517152 0.81 FOLH1 (0.42) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL7758995 0.81 DPP8 (0.50) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL22133069 0.81 DPP8 (0.50) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL3362561 0.81 DPP8 (0.50) DPP8DPP7SLC1A3SLC1A1ANPEP
SCHEMBL29766659 0.80 DPP8 (0.43) DPP8DPP7SLC1A3SLC1A1ANPEP
Hydrochloric Acid SCHEMBL27766760 0.80 DPP8 (0.49) DPP8DPP7SLC1A3SLC1A1ANPEP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5635477-A CYCLIC TETRAPEPTIDE DERIVATIVE FUSED TO A BENZENE RING; ANTICOAGULANTS; THROMBOLYTICS; CLOT LYSIS THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-06-03 US disclosed
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