SCHEMBL30567410

SCHEMBL30567410

CC(C)[C@H](NC(=O)[C@H](Cc1c[nH]cn1)NC(=O)[C@@H](N)Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 5/20 0.38
▸ FNTA P49354 4/20 0.36
▸ FNTB P49356 4/20 0.36
▸ CTSD P07339 1/20 0.35
▸ OPRD1 P41143 2/20 0.34
▸ MME P08473 2/20 0.34
▸ OPRM1 P35372 1/20 0.33
▸ ECE1 P42892 2/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ CASP7 P55210 1/20 0.33

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
SCHEMBL30254038 1.00 BACE1 (0.38) BACE1FNTAFNTBCTSDOPRD1
SCHEMBL30254145 0.96 OPRM1 (0.37) BACE1FNTAFNTBOPRD1OPRM1
SCHEMBL8437182 0.94 MME (0.37) BACE1MMEECE1
SCHEMBL8437180 0.94 MME (0.37) BACE1MMEECE1
SCHEMBL31721057 0.93 OPRM1 (0.36) BACE1FNTAFNTBOPRD1OPRM1
Water SCHEMBL29655489 0.93 MME (0.36) BACE1MMEECE1
SCHEMBL29421173 0.92 BACE1 (0.38) BACE1FNTAFNTBCTSDOPRD1
SCHEMBL31453800 0.92 OPRM1 (0.40) BACE1FNTAFNTBOPRD1MME
SCHEMBL29421174 0.91 BACE1 (0.37) BACE1FNTAFNTBCTSDOPRD1
SCHEMBL29881377 0.91 CTSD (0.35) BACE1FNTAFNTBCTSDMME

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-116789734-A Oligopeptide group extracted from crayfish shells, extraction method and application thereof 奇明达(北京)植物药物技术开发有限公司 2023-09-22 — — CN claimed
CN-116789734-A Oligopeptide group extracted from crayfish shells, extraction method and application thereof 奇明达(北京)植物药物技术开发有限公司 2023-09-22 — — CN disclosed
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