SCHEMBL31472579

SCHEMBL31472579

CC(C)C[C@H](NC(=O)[C@H](CCC(N)=O)NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@H](CCCCN)NC(=O)[C@@H](NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)Cc1ccccc1)C(C)C)C(=O)O

nearest known ligand 0.62

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 15/20 0.62
▸ BACE2 Q9Y5Z0 6/20 0.62
▸ CTSD P07339 1/20 0.58
▸ TFPI P10646 1/20 0.55
▸ VIPR2 P41587 2/20 0.54
▸ VIPR1 P32241 1/20 0.54

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
SCHEMBL31412200 0.96 BACE1 (0.59) BACE1BACE2CTSDTFPI
SCHEMBL31412205 0.94 BACE1 (0.60) BACE1BACE2CTSD
SCHEMBL31472560 0.93 NPY4R (0.57) BACE1BACE2CTSDTFPI
SCHEMBL30578956 0.91 OPRD1 (0.55) BACE1BACE2CTSDVIPR2VIPR1
SCHEMBL30385341 0.90 BACE1 (0.58) BACE1BACE2CTSD
SCHEMBL29594764 0.89 NPY4R (0.61) BACE1BACE2CTSD
SCHEMBL30578951 0.89 BACE1 (0.55) BACE1BACE2CTSD
SCHEMBL30903273 0.89 VIPR1 (0.64) BACE1BACE2VIPR2VIPR1
SCHEMBL31243883 0.89 BACE1 (0.56) BACE1BACE2CTSDTFPIVIPR2
SCHEMBL29611639 0.89 OPRD1 (0.57) BACE1BACE2CTSD

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-119792122-A Helicobacter pylori-resistant mouthwash and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-04-11 — — CN claimed
CN-119792122-A Helicobacter pylori-resistant mouthwash and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-04-11 — — CN disclosed
CN-119792122-A Helicobacter pylori-resistant mouthwash and preparation method and application thereof 奥洁玛(北京)生物科技有限公司 2025-04-11 — — CN disclosed
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