SCHEMBL30973973

SCHEMBL30973973

N=C(N)NCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](CO)NC(=O)CNC(=O)[C@@H]1CCCN1)C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ MAPK8 P45983 1/20 0.43
▸ MAPK9 P45984 1/20 0.43
▸ MAPK10 P53779 1/20 0.43
▸ RAMP3 O60896 8/20 0.42
▸ CALCR P30988 8/20 0.42
▸ EPHA2 P29317 1/20 0.42
▸ NMUR2 Q9GZQ4 3/20 0.42
▸ NMUR1 Q9HB89 3/20 0.42
▸ OPRM1 P35372 2/20 0.42
▸ OPRD1 P41143 2/20 0.42
▸ BDKRB2 P30411 1/20 0.41
▸ KDM1A O60341 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
SCHEMBL38655084 0.98 BDKRB2 (0.43) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL29590593 0.91 OPRM1 (0.55) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30930223 0.91 OPRM1 (0.55) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL6384987 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL6384984 0.89 MAPK8 (0.41) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL30925881 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL30925880 0.86 MAPK8 (0.47) MAPK8MAPK9MAPK10RAMP3CALCR
SCHEMBL3865485 0.86 MAPK8 (0.50) MAPK8MAPK9MAPK10EPHA2OPRM1
SCHEMBL22649131 0.86 BDKRB2 (0.57) MAPK8MAPK9MAPK10EPHA2NMUR2
SCHEMBL29689742 0.86 PRCP (0.44) MAPK8MAPK9MAPK10

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 claimed
Send feedback