SCHEMBL30286103

SCHEMBL30286103

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

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CAPN1 P07384 2/20 0.43
▸ KDM1A O60341 3/20 0.42
▸ CTSD P07339 2/20 0.42
▸ CTSE P14091 2/20 0.42
▸ BACE1 P56817 1/20 0.42
▸ STAT3 P40763 7/20 0.42
▸ NTSR1 P30989 3/20 0.40
▸ NPY1R P25929 1/20 0.40
▸ NPY2R P49146 1/20 0.40
▸ NPY4R P50391 1/20 0.40
▸ NPY5R Q15761 1/20 0.40
▸ NTSR2 O95665 1/20 0.40
▸ OPRD1 P41143 1/20 0.40
▸ MAOB P27338 1/20 0.40
▸ KDM5A P29375 1/20 0.40
▸ KDM1B Q8NB78 1/20 0.40

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
Larazotide SCHEMBL28795844 0.96 CAPN1 (0.43) CAPN1KDM1ACTSDCTSEBACE1
Larazotide SCHEMBL23668121 0.96 CAPN1 (0.43) CAPN1KDM1ACTSDCTSEBACE1
Larazotide SCHEMBL23668120 0.96 CAPN1 (0.43) CAPN1KDM1ACTSDCTSEBACE1
Larazotide SCHEMBL29366234 0.95 CAPN1 (0.42) CAPN1KDM1ACTSDCTSEBACE1
SCHEMBL30197449 0.91 CAPN1 (0.44) CAPN1KDM1ACTSDCTSEBACE1
SCHEMBL29567142 0.90 ELANE (0.42) CAPN1STAT3NTSR1NTSR2
SCHEMBL30539771 0.89 CTSD (0.42) CAPN1CTSDBACE1STAT3NTSR1
SCHEMBL29567365 0.87 NTSR1 (0.40) CAPN1STAT3NTSR1NTSR2OPRD1
SCHEMBL29567235 0.87 NTSR1 (0.40) CAPN1STAT3NTSR1NTSR2OPRD1
SCHEMBL29567257 0.86 XIAP (0.44) CAPN1

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
US-20230218706-A1 LARAZOTIDE DERIVATIVES COMPRISING D-AMINO ACIDS INNOVATE BIOPHARMACEUTICALS, INC. 2023-07-13 — — US disclosed
CN-115916235-A Larzoledrine derivatives comprising D-amino acids 九米特生物制药有限公司 2023-04-04 — — CN disclosed
Send feedback