SCHEMBL3843671

SCHEMBL3843671

N#Cc1cccc(C[C@H](N)C(=O)N2CCNCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DPP7 Q9UHL4 6/20 0.61
DPP4 P27487 6/20 0.61
DPP8 Q6V1X1 4/20 0.61
DPP9 Q86TI2 4/20 0.61
FAP Q12884 2/20 0.61
SLC6A2 P23975 1/20 0.54
SLC6A4 P31645 1/20 0.54
AKT1 P31749 1/20 0.45
AKT2 P31751 1/20 0.45
AKT3 Q9Y243 1/20 0.45
HDAC8 Q9BY41 3/20 0.44
DRD2 P14416 1/20 0.44
DRD3 P35462 1/20 0.44
FOLH1 Q04609 1/20 0.44
EPHX1 P07099 1/20 0.43
CHRM3 P20309 1/20 0.43
PRCP P42785 1/20 0.43
FAAH O00519 1/20 0.42

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
SCHEMBL8385358 0.90 DPP7 (0.72) DPP7DPP4DPP8DPP9FAP
SCHEMBL19923028 0.88 DPP7 (0.61) DPP7DPP4DPP8DPP9FAP
SCHEMBL19923030 0.88 DPP7 (0.61) DPP7DPP4DPP8DPP9FAP
SCHEMBL18049261 0.84 DPP7 (0.57) DPP7DPP4DPP8DPP9FAP
SCHEMBL18049265 0.84 DPP7 (0.57) DPP7DPP4DPP8DPP9FAP
SCHEMBL13727820 0.83 DPP7 (0.56) DPP7DPP4DPP8DPP9FAP
SCHEMBL13456371 0.83 DPP7 (0.56) DPP7DPP4DPP8DPP9FAP
SCHEMBL12618900 0.83 DPP7 (0.56) DPP7DPP4DPP8DPP9FAP
SCHEMBL6162970 0.82 DPP4 (0.73) DPP7DPP4DPP8DPP9FAP
SCHEMBL19922947 0.82 DPP7 (0.60) DPP7DPP4DPP8DPP9FAP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1799665-B1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2009-08-19 EP claimed
WO-2016144654-A1 INHIBITORS OF GROWTH FACTOR ACTIVATION ENZYMES WASHINGTON UNIVERSITY (US) 2016-09-15 WO disclosed
CN-101039928-B Method for purifying 3-hydroxyamidinophenylalanine derivatives by precipitation and recrystallization using salts of aromatic sulfonic acids WILEX AG 2010-12-08 CN disclosed
EP-1799665-B1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2009-08-19 EP disclosed
CN-101039928-A Method for purifying 3-hydroxyamidinophenylalanine derivatives by precipitation and recrystallization using salts of aromatic sulfonic acids WILEX AG (DE) 2007-09-19 CN disclosed
EP-1799665-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID Wilex AG (DE) 2007-06-27 EP disclosed
WO-2006042678-A1 METHOD FOR CLEANING 3-HYDROXYAMIDINOPHENYLALANINE DERIVATIVES BY THE PRECIPITATION AND RECRYSTALLISATION OF A SALT AND AN AROMATIC SULPHONIC ACID WILEX AG (DE) 2006-04-27 WO disclosed
EP-1525195-A2 METHOD FOR THE PRODUCTION OF PHENYLALANINE DERIVATIVES Wilex AG (DE) 2005-04-27 EP disclosed
WO-2004011449-A2 METHOD FOR THE PRODUCTION OF PHENYLALANINE DERIVATIVES WILEX AG (DE) 2004-02-05 WO disclosed