SCHEMBL8527136

SCHEMBL8527136

CCOC(=O)CNC(=O)NCc1ccc(CCN[C@@H](C)C(N)=O)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPID Q08752 6/20 0.62
PPIB P23284 1/20 0.62
PPIA P62937 1/20 0.62
PPIG Q13427 1/20 0.62
TSHR P16473 1/20 0.42
SLC2A1 P11166 1/20 0.41
NPY1R P25929 1/20 0.41
NPFFR1 Q9GZQ6 1/20 0.41
MAPT P10636 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
EPHX1 P07099 1/20 0.40
LMNA P02545 1/20 0.40
GLA P06280 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL8527138 0.83 PPID (0.64) PPIDPPIBPPIAPPIGNPY1R
SCHEMBL2044119 0.78 PPID (1.00) PPIDPPIBPPIAPPIGEPHX1
SCHEMBL14617663 0.77 PPID (0.78) PPIDPPIBPPIAPPIGL3MBTL1
Hydrochloric Acid SCHEMBL8136996 0.76 PPID (0.77) PPIDPPIBPPIAPPIGTSHR
SCHEMBL2034522 0.76 PPID (0.76) PPIDPPIBPPIAPPIGNPY1R
SCHEMBL177524 0.76 PPID (0.67) PPIDPPIBPPIAPPIG
SCHEMBL2037313 0.75 PPID (0.75) PPIDPPIBPPIAPPIGLMNA
SCHEMBL12643634 0.75 PPID (0.74) PPIDPPIBPPIAPPIGMAPT
SCHEMBL2041585 0.75 PPID (0.74) PPIDPPIBPPIAPPIGMAPT
SCHEMBL15832153 0.75 NPC1 (0.60) PPIDPPIBPPIAPPIGMAPT

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-0885186-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM Dr. Karl Thomae GmbH (DE) 1998-12-23 EP disclosed
WO-1997019911-A1 AMINO ACID DERIVATIVES, PHARMACEUTICAL COMPOSITIONS CONTAINING THESE COMPOUNDS AND PROCESSES FOR PREPARING THEM DR. KARL THOMAE GMBH (DE) 1997-06-05 WO disclosed