SCHEMBL24915215

SCHEMBL24915215

C[C@H](NC(=O)[C@@H](N)CSCC(N)=O)C(N)=O

nearest known ligand 0.39

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.39
DPP8 Q6V1X1 2/20 0.39
DPP9 Q86TI2 2/20 0.39
FCER2 P06734 1/20 0.36
METAP2 P50579 8/20 0.36
METAP1 P53582 5/20 0.36
ECE1 P42892 2/20 0.33
NOS2 P35228 3/20 0.33
NOS1 P29475 2/20 0.33
NOS3 P29474 1/20 0.33
ERAP2 Q6P179 1/20 0.32
ERAP1 Q9NZ08 1/20 0.32
LNPEP Q9UIQ6 1/20 0.32
NOD1 Q9Y239 1/20 0.31

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
SCHEMBL26169813 0.86 FCER2 (0.36) DPP4DPP8DPP9FCER2METAP2
SCHEMBL21201558 0.83 METAP2 (0.39) DPP4DPP8DPP9METAP2METAP1
SCHEMBL31447508 0.79 DPP4 (0.42) DPP4DPP8DPP9ECE1ERAP2
SCHEMBL30799694 0.79 DPP4 (0.42) DPP4DPP8DPP9ECE1ERAP2
SCHEMBL30788713 0.77 DPP4 (0.40) DPP4DPP8DPP9ERAP2ERAP1
SCHEMBL19502439 0.77 DPP4 (0.46) DPP4DPP8DPP9METAP2METAP1
SCHEMBL30799779 0.76 DPP8 (0.65) DPP4DPP8DPP9ERAP2ERAP1
SCHEMBL21955443 0.76 ARG1 (0.36) NOS2NOS1NOS3
SCHEMBL24915512 0.76 ACE (0.34) FCER2METAP2METAP1
SCHEMBL7313525 0.76 SLC7A5 (0.48) DPP4DPP8DPP9ERAP2ERAP1

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
WO-2023004240-A1 MACROCYLIC IMMUNOMODULATORS BRISTOL-MYERS SQUIBB COMPANY (US) 2023-01-26 WO disclosed