SCHEMBL31518643

SCHEMBL31518643

CC(C)C[C@H](NC(=O)[C@@H](NC(=O)CNC(=O)[C@@H]1CCCN1C(=O)[C@H](C)N)[C@@H](C)O)C(=O)O

nearest known ligand 0.45

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.45
▸ CAPN1 P07384 4/20 0.44
▸ NTSR1 P30989 12/20 0.44
▸ NTSR2 O95665 10/20 0.44
▸ SLC6A2 P23975 1/20 0.43
▸ CTSB P07858 1/20 0.42
▸ SORT1 Q99523 6/20 0.42
▸ XIAP P98170 1/20 0.41

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
SCHEMBL31518661 0.91 CAPN1 (0.43) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518646 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518673 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518682 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518681 0.91 RAMP3 (0.43) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518689 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518672 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518687 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518675 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2
SCHEMBL31518686 0.91 CAPN1 (0.45) KMT2ACAPN1NTSR1NTSR2SLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2025098490-A1 POLYPEPTIDE AND USE THEREOF 四川好医生攀西药业有限责任公司 2025-05-15 — — WO claimed
WO-2025098490-A1 POLYPEPTIDE AND USE THEREOF 四川好医生攀西药业有限责任公司 2025-05-15 — — WO disclosed
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