SCHEMBL30400964

SCHEMBL30400964

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](N)CCC(=O)O)C(C)C)C(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(N)=O)C(=O)N[C@@H](CCC(=O)O)C(=O)O)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ NTSR1 P30989 13/20 0.51
▸ NTSR2 O95665 12/20 0.51
▸ SORT1 Q99523 12/20 0.51
▸ F2 P00734 1/20 0.47
▸ KDM1A O60341 3/20 0.46
▸ CTSD P07339 1/20 0.45
▸ BACE1 P56817 1/20 0.45
▸ MAOB P27338 1/20 0.44
▸ KDM5A P29375 1/20 0.44
▸ KDM1B Q8NB78 1/20 0.44

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
SCHEMBL30401887 1.00 NTSR1 (0.51) NTSR1NTSR2SORT1F2KDM1A
SCHEMBL30311177 0.97 NTSR2 (0.49) NTSR1NTSR2SORT1F2KDM1A
SCHEMBL30400308 0.96 NTSR1 (0.53) NTSR1NTSR2SORT1F2
SCHEMBL30402067 0.94 KDM1A (0.47) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL30936189 0.94 KDM1A (0.47) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL30399486 0.94 KDM1A (0.47) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL30402058 0.92 NTSR1 (0.48) NTSR1NTSR2SORT1KDM1AMAOB
SCHEMBL30401072 0.92 NPY2R (0.49) NTSR1NTSR2SORT1KDM1ACTSD
SCHEMBL30844288 0.92 F2 (0.49) NTSR1NTSR2SORT1F2CTSD
SCHEMBL30844330 0.92 F2 (0.49) NTSR1NTSR2SORT1F2CTSD

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
CN-116003529-A Polypeptide and application thereof in repairing mucous membrane injury or skin injury 四川好医生攀西药业有限责任公司 2023-04-25 — — CN claimed
CN-116003529-A Polypeptide and application thereof in repairing mucous membrane injury or skin injury 四川好医生攀西药业有限责任公司 2023-04-25 — — CN disclosed
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