SCHEMBL29392024

SCHEMBL29392024

CC(C)[C@H](NC(=O)CNC(=O)CNC(=O)CN)C(=O)N[C@@H](CCCCN)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ FOLH1 Q04609 1/20 0.44
▸ SLC6A5 Q9Y345 1/20 0.44
▸ SLC15A2 Q16348 1/20 0.43
▸ CPB2 Q96IY4 8/20 0.43
▸ FURIN P09958 7/20 0.41
▸ PRSS1 P07477 2/20 0.39
▸ NMT2 O60551 1/20 0.39
▸ NMT1 P30419 1/20 0.39

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
SCHEMBL29392650 0.99 FOLH1 (0.45) FOLH1SLC6A5SLC15A2CPB2FURIN
SCHEMBL29389004 0.90 SLC15A2 (0.51) FOLH1SLC6A5SLC15A2CPB2FURIN
SCHEMBL31319761 0.88 C3AR1 (0.41) SLC15A2CPB2FURINPRSS1
SCHEMBL24191073 0.87 C3AR1 (0.42) SLC15A2CPB2FURINPRSS1
SCHEMBL29893406 0.87 FOLH1 (0.53) FOLH1SLC6A5SLC15A2CPB2
SCHEMBL8821211 0.87 FOLH1 (0.53) FOLH1SLC6A5SLC15A2CPB2
SCHEMBL8821210 0.87 FOLH1 (0.53) FOLH1SLC6A5SLC15A2CPB2
SCHEMBL15756737 0.85 FOLH1 (0.54) FOLH1SLC6A5SLC15A2CPB2
SCHEMBL4299646 0.85 FOLH1 (0.54) FOLH1SLC6A5SLC15A2CPB2
SCHEMBL6850341 0.85 FURIN (0.40) FURINPRSS1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022199237-A1 MODIFIED AMINO ACIDS AND APPLICATION THEREOF IN ADC 联宁(苏州)生物制药有限公司 2022-09-29 — — WO claimed
CN-114106088-A Bromomethylpyrazine-based drug conjugates and ADCs 联宁(苏州)生物制药有限公司 2022-03-01 — — CN claimed
CN-113816969-B Eptification control compound, antibody drug conjugate thereof and application thereof 联宁(苏州)生物制药有限公司 2024-01-16 — — CN disclosed
WO-2022199237-A1 MODIFIED AMINO ACIDS AND APPLICATION THEREOF IN ADC 联宁(苏州)生物制药有限公司 2022-09-29 — — WO disclosed
CN-114106088-A Bromomethylpyrazine-based drug conjugates and ADCs 联宁(苏州)生物制药有限公司 2022-03-01 — — CN disclosed
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