SCHEMBL29565875

SCHEMBL29565875

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

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 2/20 0.54
▸ F2 P00734 1/20 0.48
▸ ACE P12821 9/20 0.47
▸ ACE2 Q9BYF1 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ CHRM4 P08173 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ CHRM3 P20309 1/20 0.44
▸ DPP4 P27487 1/20 0.44
▸ OPRD1 P41143 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42

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
SCHEMBL21462327 0.90 OPRD1 (0.49) KMT2AF2ACEACE2DPP4
SCHEMBL31258873 0.90 OPRD1 (0.49) KMT2AF2ACEACE2DPP4
SCHEMBL29444020 0.90 OPRD1 (0.49) KMT2AF2ACEACE2DPP4
SCHEMBL30034009 0.87 OPRD1 (0.47) KMT2AF2ACEACE2OPRD1
SCHEMBL28665306 0.87 OPRD1 (0.48) KMT2AF2ACEACE2OPRD1
SCHEMBL30366864 0.87 OPRD1 (0.48) KMT2AF2ACEACE2OPRD1
SCHEMBL31603928 0.85 KMT2A (0.46) KMT2AF2ACEDPP4OPRD1
SCHEMBL31603930 0.83 F2 (0.46) KMT2AF2ACEDPP4
SCHEMBL119560 0.82 ALDH1A1 (0.58) KMT2AF2ACEALDH1A1SMN1; SMN2
SCHEMBL1002927 0.82 ALDH1A1 (0.58) KMT2AF2ACEALDH1A1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-120058841-A Synthesis method of snake venom tetrapeptide 上海鲲诺生物科技有限公司 2025-05-30 — — CN disclosed
CN-115327010-B Fmoc-L-Pro-OH.H 2 Method for measuring content of O and related impurities 泰州兴普泰生物制药有限公司 2023-08-29 — — CN disclosed
CN-115327010-A Fmoc-L-Pro-OH.H 2 Method for measuring content of O and related impurities 泰州兴普泰生物制药有限公司 2022-11-11 — — CN disclosed
CN-114380887-A Liquid phase fragment synthesis method of snake venom-like tripeptide 深圳翰宇药业股份有限公司 2022-04-22 — — CN disclosed
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