SCHEMBL7383100

SCHEMBL7383100

COC(=O)N[C@H](CC1CCC1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ACE P12821 7/20 0.48
REN P00797 4/20 0.48
ACE2 Q9BYF1 2/20 0.48
KDM4E B2RXH2 1/20 0.48
F2 P00734 1/20 0.48
LMNA P02545 1/20 0.48
LTA4H P09960 1/20 0.48
MAPT P10636 1/20 0.48
PEPD P12955 1/20 0.48
ALOX15 P16050 1/20 0.48
PTGS1 P23219 1/20 0.48
HTR2A P28223 1/20 0.48
PTGS2 P35354 1/20 0.48
HRH1 P35367 1/20 0.48
THPO P40225 1/20 0.48
PMP22 Q01453 1/20 0.48
HSD17B10 Q99714 1/20 0.48
RAB9A P51151 1/20 0.44
KCNH2 Q12809 1/20 0.41

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
SCHEMBL7414754 0.90 ACE (0.49) ACERENACE2KDM4EF2
SCHEMBL7382443 0.89 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL7372850 0.89 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL7372855 0.87 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL7412842 0.87 ACE (0.48) ACERENACE2KDM4EF2
SCHEMBL19744672 0.85 CTSS (0.56) ACERENACE2KDM4EF2
SCHEMBL19744673 0.85 CTSS (0.56) ACERENACE2KDM4EF2
SCHEMBL7377783 0.79 ACE (0.64) ACEACE2LTA4H
SCHEMBL12600481 0.79 ACE (0.55) ACERENACE2KDM4EF2
SCHEMBL20484590 0.78 ACE (0.63) ACEACE2LMNALTA4H

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