SCHEMBL6687254

SCHEMBL6687254

NC(=O)C1CCCN1C(=O)CC(CCc1ccccc1)NC(=O)O

nearest known ligand 0.52

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ACE P12821 11/20 0.52
ERAP2 Q6P179 1/20 0.48
ERAP1 Q9NZ08 1/20 0.48
LNPEP Q9UIQ6 1/20 0.48
DPP4 P27487 2/20 0.48
F2 P00734 2/20 0.48
LMNA P02545 1/20 0.46
CPA1 P15085 1/20 0.43
CPA2 P48052 1/20 0.43
CPA4 Q9UI42 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
SPHK2 Q9NRA0 1/20 0.43
KMT2A Q03164 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
SCHEMBL6687259 1.00 ACE (0.52) ACEERAP2ERAP1LNPEPDPP4
SCHEMBL6687452 1.00 ACE (0.52) ACEERAP2ERAP1LNPEPDPP4
SCHEMBL6692145 0.82 DPP4 (0.62) DPP4
SCHEMBL6685006 0.82 DPP4 (0.62) DPP4
SCHEMBL6685012 0.82 DPP4 (0.62) DPP4
SCHEMBL2177077 0.76 DPP4 (0.57) ACEDPP4NPC1RAB9ASPHK2
SCHEMBL474918 0.76 DPP4 (0.57) ACEDPP4NPC1RAB9ASPHK2
SCHEMBL449093 0.74 DPP4 (0.58) ACEDPP4F2NPC1RAB9A
SCHEMBL4520158 0.74 PRCP (0.65)
SCHEMBL26616511 0.73 PREP (0.60) ACEDPP4F2NPC1RAB9A

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-2004089362-A1 2-CYANOPYRROLES AND THEIR ANALOGUES AS DDP-IV INHIBITORS NOVO NORDISK A/S (DK) 2004-10-21 WO disclosed