SCHEMBL31031452

SCHEMBL31031452

CC(C)C[C@H](NC(=O)[C@@H]1CCCN1)C(=O)N1CCC[C@H]1C(=O)N[C@@H](CO)C(=O)N[C@@H](CCCCN)C(=O)N[C@@H](CCC(=O)O)C(=O)N[C@H](C(=O)O)[C@@H](C)O

nearest known ligand 0.52

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.52
▸ CAPN1 P07384 2/20 0.49
▸ REN P00797 10/20 0.48
▸ MAOB P27338 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ RAMP3 O60896 4/20 0.45
▸ CALCR P30988 4/20 0.45

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
SCHEMBL31031592 0.88 NMT1 (0.40) KDM1A
SCHEMBL31031504 0.87 KDM1A (0.48) KDM1ARENMAOBKDM5AKDM1B
SCHEMBL31031558 0.87 CAPN1 (0.50) CAPN1RAMP3CALCR
SCHEMBL31031564 0.87 CAPN1 (0.51) KDM1ACAPN1RAMP3CALCR
SCHEMBL30702386 0.87 KDM1A (0.60) KDM1AMAOBKDM5AKDM1BRAMP3
SCHEMBL31031524 0.86 CAPN1 (0.50) KDM1ACAPN1MAOBKDM5AKDM1B
SCHEMBL31031457 0.86 CAPN1 (0.50) KDM1ACAPN1MAOBKDM5AKDM1B
SCHEMBL29679831 0.85 KDM1A (0.48) KDM1ARENMAOBKDM5AKDM1B
SCHEMBL29987342 0.85 REN (0.50) REN
SCHEMBL31031527 0.85 CAPN1 (0.49) KDM1ACAPN1MAOBKDM5AKDM1B

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-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO claimed
WO-2024132725-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF INTRACRANIAL HEMORRHAGIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF INTRACRANIAL HEMORRHAGIC STROKE FROM ACUTE ISCHEMIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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