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SCHEMBL30725656

SCHEMBL30725656

CC[C@H](C)[C@H](N)C(=O)N[C@@H](CS)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)N[C@@H](CCCNC(=N)N)C(=O)O

nearest known ligand 0.54

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ACE P12821 2/20 0.54
▸ ECE1 P42892 14/20 0.51

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
SCHEMBL30092972 0.95 ACE (0.52) ACEECE1
SCHEMBL30725660 0.95 IL23R (0.51) ACE
SCHEMBL30725655 0.95 KISS1R (0.52) ACEECE1
SCHEMBL30725659 0.90 IL23R (0.53) —
SCHEMBL30444033 0.88 ACE (0.54) ACEECE1
SCHEMBL31165840 0.88 ACE (0.54) ACEECE1
SCHEMBL30093078 0.88 MAGI3 (0.56) ACEECE1
SCHEMBL30475687 0.87 ACE (0.55) ACEECE1
SCHEMBL31614972 0.87 KISS1R (0.54) ACE
SCHEMBL30325341 0.87 GHSR (0.59) ACEECE1

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-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN claimed
WO-2024000262-A1 PROBE AND KIT FOR EARLY DIAGNOSIS OF DIFFUSE LARGE B-CELL LYMPHOMA 京东方科技集团股份有限公司 2024-01-04 — — WO claimed
CN-117642418-A Probes and kit for early diagnosis of diffuse large B cell lymphoma 京东方科技集团股份有限公司 2024-03-01 — — CN disclosed
WO-2024000262-A1 PROBE AND KIT FOR EARLY DIAGNOSIS OF DIFFUSE LARGE B-CELL LYMPHOMA 京东方科技集团股份有限公司 2024-01-04 — — WO disclosed
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