SCHEMBL31347814

SCHEMBL31347814

NC(=O)C[C@H](N)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CO)C(=O)N[C@@H](Cc1c[nH]cn1)C(=O)N1CCC[C@H]1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ C5AR1 P21730 2/20 0.48
▸ CAPN1 P07384 2/20 0.48
▸ CTSB P07858 2/20 0.48
▸ CTSL P07711 3/20 0.46
▸ CTSS P25774 3/20 0.46
▸ CTSK P43235 3/20 0.46
▸ CTSH P09668 1/20 0.46
▸ CXCR4 P61073 1/20 0.46
▸ OPRM1 P35372 1/20 0.45
▸ DPP3 Q9NY33 3/20 0.45
▸ KISS1R Q969F8 1/20 0.44
▸ DPP4 P27487 1/20 0.43

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
SCHEMBL29677279 0.93 DPP4 (0.48) C5AR1CAPN1CTSBCTSLCTSS
SCHEMBL30272509 0.93 CTSL (0.48) CTSLCTSSCTSKCTSHDPP3
SCHEMBL30165155 0.90 CXCR4 (0.53) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL30254337 0.88 DPP3 (0.55) C5AR1CAPN1CTSBCTSLCTSS
SCHEMBL30183471 0.86 CTSL (0.53) C5AR1CAPN1CTSBCTSLCTSS
SCHEMBL30465929 0.86 CAPN1 (0.54) C5AR1CAPN1CTSBCTSLCTSS
SCHEMBL31040595 0.86 DPP3 (0.56) C5AR1CTSLCTSSCTSKCTSH
SCHEMBL29666887 0.86 ACE (0.48) OPRM1
SCHEMBL30311056 0.85 DPP3 (0.52) CAPN1CTSBOPRM1DPP3DPP4
SCHEMBL29666760 0.84 DPP3 (0.53) CAPN1CTSBDPP3DPP4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111542754-B Microcapsules for detecting and/or quantifying analytes in a sample 布林克公司 2025-03-11 — — CN disclosed
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