SCHEMBL31484223

SCHEMBL31484223

N=C(N)NCCC[C@H](NC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)[C@H](CC(=O)O)NC(=O)[C@@H](N)CC(=O)O)C(=O)O

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERAP2 Q6P179 1/20 0.51
▸ MMP1 P03956 3/20 0.50
▸ MMP2 P08253 3/20 0.50
▸ MMP8 P22894 2/20 0.50
▸ CCKBR P32239 3/20 0.49
▸ CCKAR P32238 2/20 0.49
▸ ACE P12821 2/20 0.48
▸ KISS1R Q969F8 2/20 0.48
▸ OPRD1 P41143 1/20 0.48
▸ MMP9 P14780 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
SCHEMBL30688662 0.98 MMP1 (0.51) ERAP2MMP1MMP2MMP8ACE
SCHEMBL31074780 0.97 ERAP2 (0.51) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL30053160 0.95 KISS1R (0.50) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL31484225 0.94 ERAP2 (0.57) ERAP2MMP1MMP2MMP8KISS1R
SCHEMBL31607064 0.94 ERAP2 (0.52) ERAP2MMP1MMP2MMP8CCKBR
SCHEMBL31074790 0.93 MMP1 (0.51) ERAP2MMP1MMP2MMP8ACE
SCHEMBL30469505 0.93 ERAP2 (0.58) ERAP2MMP1MMP2MMP8KISS1R
SCHEMBL29577026 0.92 ACE (0.52) ERAP2ACEKISS1R
SCHEMBL30839329 0.92 KDM4E (0.53) ERAP2ACEKISS1R
SCHEMBL30085020 0.92 ACE (0.52) ERAP2ACEKISS1R

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
CN-119751572-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2025-04-04 — — CN claimed
CN-119751572-B Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2026-05-05 — — CN disclosed
CN-121652228-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2026-03-13 — — CN disclosed
CN-119751572-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2025-04-04 — — CN disclosed
CN-119751572-A Elm Huang Gutai, and preparation and application thereof 昆明理工大学 2025-04-04 — — CN disclosed
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