SCHEMBL8639130

SCHEMBL8639130

COC(=O)[C@H](CC(C)C)N[C@@H](CC(C)C)C(=O)N(c1ccc(-c2ccccc2)cc1)[C@@H](C)C(=O)OC

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.44
CTSB P07858 2/20 0.42
GPR88 Q9GZN0 1/20 0.40
ELANE P08246 3/20 0.39
BIRC2 Q13490 1/20 0.39
TAS1R3 Q7RTX0 4/20 0.39
TAS1R1 Q7RTX1 4/20 0.39
MEN1 O00255 1/20 0.39
PLA2G1B P04054 1/20 0.39
HTT P42858 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ATG4B Q9Y4P1 1/20 0.39

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
SCHEMBL8640058 0.90 CTSB (0.40) ANPEPCTSBGPR88BIRC2MEN1
SCHEMBL8642069 0.89 PTPN1 (0.41) ANPEPCTSBBIRC2MEN1KMT2A
SCHEMBL8638508 0.87 NPC1 (0.39) ANPEPCTSBGPR88TAS1R3TAS1R1
SCHEMBL8642399 0.87 NPC1 (0.39) ANPEPCTSBGPR88TAS1R3TAS1R1
SCHEMBL8639883 0.87 LTA4H (0.45) CTSBMEN1KMT2A
SCHEMBL8639127 0.87 BIRC2 (0.41) ANPEPCTSBGPR88BIRC2MEN1
SCHEMBL8638354 0.87 LTA4H (0.45) CTSBMEN1KMT2A
SCHEMBL8640412 0.86 REN (0.46) TAS1R3TAS1R1MEN1KMT2A
SCHEMBL8645046 0.85 MMP9 (0.43) ANPEPCTSBBIRC2
SCHEMBL7404137 0.84 GPR88 (0.46) ANPEPCTSBGPR88MEN1PLA2G1B

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
EP-0766694-B1 PEPTIDE DERIVATIVES WITH METALLOPEPTIDASE INHIBITORY ACTIVITY ZAMBON SPA (IT) 1998-08-05 EP disclosed