SCHEMBL30974586

SCHEMBL30974586

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

nearest known ligand 0.50

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ KDM1A O60341 3/20 0.50
▸ CAPN1 P07384 5/20 0.49
▸ MAPK8 P45983 1/20 0.48
▸ MAPK9 P45984 1/20 0.48
▸ MAPK10 P53779 1/20 0.48
▸ MAOB P27338 1/20 0.47
▸ KDM5A P29375 1/20 0.47
▸ KDM1B Q8NB78 1/20 0.47
▸ OPRM1 P35372 6/20 0.44
▸ OPRK1 P41145 6/20 0.44
▸ EPHA2 P29317 2/20 0.43
▸ NMUR2 Q9GZQ4 1/20 0.43
▸ NMUR1 Q9HB89 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
SCHEMBL29442098 0.88 KDM1A (0.47) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30432241 0.86 EPHA2 (0.56) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30974022 0.86 RAMP3 (0.50) CAPN1OPRM1OPRK1
SCHEMBL31070376 0.85 CAPN1 (0.50) CAPN1OPRM1OPRK1NMUR2NMUR1
SCHEMBL30978864 0.84 MAPK8 (0.49) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL30702386 0.84 KDM1A (0.60) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL31318939 0.83 MAPK8 (0.51) KDM1AMAPK8MAPK9MAPK10OPRM1
SCHEMBL31031472 0.83 MAPK8 (0.47) KDM1AMAPK8MAPK9MAPK10OPRM1
SCHEMBL7351804 0.83 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB
SCHEMBL7351817 0.83 MAPK8 (0.41) KDM1AMAPK8MAPK9MAPK10MAOB

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
WO-2024132726-A1 SERUM PEPTIDE PATTERNS FOR DIAGNOSTICS OF ACUTE ISCHEMIC STROKE IN HUMANS AND DIFFERENTIAL DIAGNOSIS OF ACUTE ISCHEMIC STROKE FROM INTRACRANIAL HEMORRHAGIC STROKE UNIWERSYTET GDANSKI (PL) 2024-06-27 — — WO disclosed
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