SCHEMBL29591617

SCHEMBL29591617

O=C(NCC(=O)N1CCC[C@H]1C(=O)N1C[C@H](O)C[C@H]1C(=O)O)OCC1c2ccccc2-c2ccccc21

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 1/20 0.44
▸ PREP P48147 2/20 0.41
▸ F2 P00734 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ CHRM2 P08172 3/20 0.40
▸ CHRM4 P08173 3/20 0.40
▸ CHRM3 P20309 3/20 0.40
▸ CHRM1 P11229 2/20 0.40
▸ VHL P40337 1/20 0.38
▸ ACE P12821 1/20 0.36
▸ TLR2 O60603 1/20 0.36
▸ TLR1 Q15399 1/20 0.36
▸ DPP8 Q6V1X1 1/20 0.36
▸ DPP9 Q86TI2 1/20 0.36
▸ PRCP P42785 1/20 0.36

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
SCHEMBL29444020 0.88 OPRD1 (0.49) OPRD1PREPF2KMT2AACE
SCHEMBL21462327 0.88 OPRD1 (0.49) OPRD1PREPF2KMT2AACE
SCHEMBL31258873 0.88 OPRD1 (0.49) OPRD1PREPF2KMT2AACE
SCHEMBL29727831 0.87 PREP (0.44) PREPCHRM2CHRM4CHRM3CHRM1
SCHEMBL30034009 0.85 OPRD1 (0.47) OPRD1PREPF2KMT2AACE
SCHEMBL30366864 0.85 OPRD1 (0.48) OPRD1PREPF2KMT2AACE
SCHEMBL28665306 0.85 OPRD1 (0.48) OPRD1PREPF2KMT2AACE
SCHEMBL29843628 0.85 PREP (0.58) PREPKMT2ACHRM2CHRM4CHRM3
SCHEMBL29592724 0.82 CHRM2 (0.42) OPRD1PREPF2KMT2ACHRM2
SCHEMBL28559438 0.81 F2 (0.46) OPRD1PREPF2KMT2AACE

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114702546-B Production process of tripeptide-29 山东济肽生物科技有限公司 2022-12-20 — — CN claimed
CN-114702546-A Production process of tripeptide-29 山东济肽生物科技有限公司 2022-07-05 — — CN claimed
US-12162924-B2 Method for the design of fibrillar collagen-mimetic peptide self-assemblies WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 2024-12-10 — — US disclosed
CN-114702546-B Production process of tripeptide-29 山东济肽生物科技有限公司 2022-12-20 — — CN disclosed
CN-114702546-B Production process of tripeptide-29 山东济肽生物科技有限公司 2022-12-20 — — CN disclosed
CN-114702546-A Production process of tripeptide-29 山东济肽生物科技有限公司 2022-07-05 — — CN disclosed
CN-114702546-A Production process of tripeptide-29 山东济肽生物科技有限公司 2022-07-05 — — CN disclosed
US-20220112269-A1 METHOD FOR THE DESIGN OF FIBRILLAR COLLAGEN-MIMETIC PEPTIDE SELF-ASSEMBLIES WISCONSIN ALUMNI RESEARCH FOUNDATION 2022-04-14 — — US disclosed
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