SCHEMBL31655494

SCHEMBL31655494

CC(C)C[C@H](N)C(=O)N[C@@H](CC(N)=O)C(=O)N1CCC[C@H]1C(=O)N[C@H](C(=O)N[C@@H](CCC(=O)O)C(=O)O)[C@@H](C)O

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 4/20 0.49
▸ CTSD P07339 3/20 0.49
▸ CALCRL Q16602 3/20 0.45
▸ CAPN1 P07384 4/20 0.45
▸ CTSB P07858 1/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ KEAP1 Q14145 1/20 0.43
▸ XIAP P98170 1/20 0.43
▸ MAPK8 P45983 1/20 0.42
▸ MAPK9 P45984 1/20 0.42
▸ MAPK10 P53779 1/20 0.42
▸ F2R P25116 2/20 0.42
▸ NPY1R P25929 1/20 0.42
▸ NPY2R P49146 1/20 0.42
▸ NPY4R P50391 1/20 0.42
▸ NPY5R Q15761 1/20 0.42

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
SCHEMBL31655493 1.00 BACE1 (0.49) BACE1CTSDCALCRLCAPN1CTSB
SCHEMBL30687535 0.89 CAPN1 (0.47) CALCRLCAPN1CTSBSLC6A2KEAP1
SCHEMBL30444754 0.87 GRB2 (0.44) BACE1CTSDCAPN1
SCHEMBL29733250 0.87 CALCRL (0.47) BACE1CTSDCALCRLCAPN1SLC6A2
SCHEMBL8626724 0.87 STAT3 (0.48) BACE1CTSDCALCRLCAPN1SLC6A2
SCHEMBL8627859 0.87 STAT3 (0.48) BACE1CTSDCALCRLCAPN1SLC6A2
SCHEMBL30397865 0.87 NTSR1 (0.49) CAPN1KEAP1
SCHEMBL8627850 0.86 SLC6A2 (0.49) BACE1CTSDCALCRLCAPN1SLC6A2
SCHEMBL8626712 0.86 SLC6A2 (0.49) BACE1CTSDCALCRLCAPN1SLC6A2
SCHEMBL30242241 0.86 SLC6A2 (0.47) BACE1CTSDCALCRLCAPN1CTSB

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
CN-120271668-A Novel polypeptide capable of regulating activity of AMPK and pharmaceutical application thereof 浙江国本医药集团有限公司 2025-07-08 — — CN disclosed
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