SCHEMBL29865375

SCHEMBL29865375

CC(C)[C@H](NC(=O)[C@H](C)NC(=O)[C@@H](N)CCC(=O)O)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 2/20 0.55
DPP8 Q6V1X1 2/20 0.55
DPP9 Q86TI2 2/20 0.55
BACE1 P56817 13/20 0.49
CTSD P07339 4/20 0.49
GRM8 O00222 1/20 0.46
GRM6 O15303 1/20 0.46
GRIN2D O15399 1/20 0.46
GRIN3B O60391 1/20 0.46
GSR P00390 1/20 0.46
CYP1A2 P05177 1/20 0.46
GRIK1 P39086 1/20 0.46
GRM5 P41594 1/20 0.46
GRIA1 P42261 1/20 0.46
GRIA2 P42262 1/20 0.46
GRIA3 P42263 1/20 0.46
SLC1A3 P43003 1/20 0.46
SLC1A2 P43004 1/20 0.46
SLC1A1 P43005 1/20 0.46
GRIA4 P48058 1/20 0.46

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
SCHEMBL31571451 0.97 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL537129 0.94 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL537127 0.94 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29531533 0.94 DPP4 (0.61) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29406740 0.93 BACE1 (0.50) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29630428 0.93 BACE1 (0.53) DPP4DPP8DPP9BACE1CTSD
SCHEMBL31234146 0.91 BACE1 (0.51) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29531781 0.91 DPP4 (0.58) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29452652 0.90 DPP4 (0.54) DPP4DPP8DPP9BACE1CTSD
SCHEMBL29375127 0.88 BACE1 (0.60) DPP4DPP8DPP9BACE1CTSD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118853640-A Carbapenem drug-resistant gene and application thereof 郑州大学 2024-10-29 CN disclosed
EP-4294802-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF Universität Bielefeld (DE) 2023-12-27 EP disclosed
WO-2022175222-A1 CRYPTOPHYCIN COMPOUNDS AND CONJUGATES THEREOF UNIVERSITÄT BIELEFELD (DE) 2022-08-25 WO disclosed