SCHEMBL7412840

SCHEMBL7412840

CCOC(=O)OC(=O)[C@@H]1CCCN1C(=O)[C@H](N)CC1CCCC1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 8/20 0.40
PEPD P12955 2/20 0.39
DPP4 P27487 4/20 0.39
DPP8 Q6V1X1 3/20 0.39
DPP9 Q86TI2 3/20 0.39
DPP7 Q9UHL4 3/20 0.39
FAP Q12884 2/20 0.39
XPNPEP1 Q9NQW7 1/20 0.37
CTSL P07711 1/20 0.37
CTSB P07858 1/20 0.37
CTSH P09668 1/20 0.37
CTSK P43235 1/20 0.37
ALDH1A1 P00352 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
SCHEMBL7372852 1.00 FKBP1A (0.40) FKBP1APEPDDPP4DPP8DPP9
SCHEMBL7372846 0.98 PEPD (0.39) FKBP1APEPDDPP4DPP8DPP9
SCHEMBL7382440 0.98 PEPD (0.39) FKBP1APEPDDPP4DPP8DPP9
SCHEMBL7383096 0.87 PEPD (0.46) FKBP1APEPDDPP4DPP8DPP9
SCHEMBL7414752 0.84 PEPD (0.39) PEPDDPP4DPP8DPP9DPP7
SCHEMBL21536110 0.82 PEPD (0.54) FKBP1APEPDDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28286265 0.81 PEPD (0.53) FKBP1APEPDDPP4DPP8DPP9
Hydrochloric Acid SCHEMBL28286264 0.81 PEPD (0.53) FKBP1APEPDDPP4DPP8DPP9
SCHEMBL7381463 0.79 DPP4 (0.55) DPP4DPP8DPP9DPP7FAP
SCHEMBL7379023 0.77 SOAT1 (0.44) CTSKALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0922054-B1 ANTICOAGULANT PEPTIDYL-ARGININE ALDEHYDE DERIVATIVES GYOGYSZERKUTATO INTEZET (HU) 2002-08-14 EP disclosed
US-6235707-B1 Anticoagulant peptidyl-arginine aldehyde derivatives GYOGYSZERKUTATO INTEZET KFT. (HU) 2001-05-22 US disclosed
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