SCHEMBL29782800

SCHEMBL29782800

CC(C)C[C@H](N)C(=O)NCC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 7/20 0.55
▸ OPRM1 P35372 5/20 0.55
▸ OPRK1 P41145 3/20 0.55
▸ CTSB P07858 1/20 0.49
▸ MMP2 P08253 1/20 0.47
▸ MMP7 P09237 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ MMP12 P39900 1/20 0.47
▸ MMP13 P45452 1/20 0.47

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
SCHEMBL31241620 0.91 OPRD1 (0.42) OPRD1OPRM1OPRK1CTSB
SCHEMBL30974165 0.89 OPRD1 (0.47) OPRD1OPRM1OPRK1CTSB
SCHEMBL31241621 0.88 OPRD1 (0.44) OPRD1OPRM1OPRK1CTSB
SCHEMBL30692725 0.88 OPRD1 (0.52) OPRD1OPRM1OPRK1
SCHEMBL31257981 0.88 OPRD1 (0.44) OPRD1OPRM1OPRK1CTSB
SCHEMBL30659881 0.88 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL29893780 0.87 OPRD1 (0.53) OPRD1OPRM1OPRK1CTSB
SCHEMBL30974346 0.87 OPRM1 (0.41) OPRD1OPRM1OPRK1CTSB
SCHEMBL31510665 0.87 BACE1 (0.52) —
SCHEMBL6743904 0.86 OPRD1 (0.56) OPRD1OPRM1OPRK1

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-110128503-B Synthetic polypeptide for resisting Abeta 1-42 protein aggregation, synthetic method and application thereof, and gene for encoding synthetic polypeptide 华南理工大学 2022-08-12 — — CN claimed
CN-110128503-B Synthetic polypeptide for resisting Abeta 1-42 protein aggregation, synthetic method and application thereof, and gene for encoding synthetic polypeptide 华南理工大学 2022-08-12 — — CN disclosed
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