SCHEMBL7412948

SCHEMBL7412948

CC(C)OC(=O)[C@@]1([C]=O)CCCN1C(=O)[C@H](N)CC1CCC1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.33
CTSK P43235 4/20 0.32
CTSL P07711 3/20 0.32
CTSB P07858 3/20 0.32
CTSH P09668 3/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
DPP7 Q9UHL4 1/20 0.30

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
SCHEMBL7378154 0.88 SLC1A3 (0.32) DPP4CTSKCTSLCTSBCTSH
SCHEMBL7374132 0.86 DPP4 (0.33) DPP4SLC1A3SLC1A2SLC1A1
SCHEMBL7414748 0.74 SLC1A3 (0.34) CTSKCTSLCTSBCTSHSLC1A3
SCHEMBL7383092 0.66 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL7372843 0.65 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL7382436 0.65 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL7414752 0.64 PEPD (0.39) DPP4CTSKCTSLCTSBCTSH
SCHEMBL7525607 0.64 CTSK (0.36) CTSKCTSLCTSBCTSHSLC1A3
SCHEMBL7372849 0.63 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1
SCHEMBL287541 0.61 SLC1A3 (0.47) SLC1A3SLC1A2SLC1A1

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
EP-0922054-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET KFT. (HU) 1999-06-16 EP disclosed
WO-1997046576-A1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES Gyógyszerkutató Intézet Kft. (HU) 1997-12-11 WO disclosed