SCHEMBL9230345

SCHEMBL9230345

CCCN1C[C@@H](COS(C)(=O)=O)OC1=O

nearest known ligand 0.49

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MAOA P21397 1/20 0.35
PTPN1 P18031 1/20 0.34
ACP1 P24666 1/20 0.34
CDC25B P30305 1/20 0.34
GRM2 Q14416 8/20 0.32
DRD2 P14416 1/20 0.30
DRD3 P35462 1/20 0.30

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
SCHEMBL7306386 0.87 MAPK1 (0.47) MAPK1L3MBTL1PTPN1ACP1CDC25B
SCHEMBL7305151 0.82 MAPK1 (0.39) MAPK1L3MBTL1MAOADRD2DRD3
SCHEMBL7316915 0.82 MAPK1 (0.45) MAPK1L3MBTL1
SCHEMBL14168364 0.81 MAOA (0.38) MAPK1L3MBTL1MAOAPTPN1ACP1
SCHEMBL10151437 0.81 MAOA (0.38) MAPK1L3MBTL1MAOAPTPN1ACP1
SCHEMBL15757164 0.80 MAPK1 (0.48) MAPK1L3MBTL1GRM2DRD2DRD3
SCHEMBL7229039 0.79 MAPK1 (0.36) MAPK1L3MBTL1MAOA
SCHEMBL7313654 0.79 MAPK1 (0.41) MAPK1L3MBTL1MAOA
SCHEMBL7314320 0.79 MAPK1 (0.37) MAPK1L3MBTL1
SCHEMBL15219403 0.78 MAPK1 (0.35) MAPK1L3MBTL1MAOA

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
EP-0647634-A1 Method of preparing a heterocyclic intermediate for the production of optically active aryloxy-substituted vicinal aminoalcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-04-12 EP disclosed
EP-0647633-A1 Method of preparing a heterocyclic intermediate for the production of optically active aryloxysubstituted vicinal aminoalcohols DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1995-04-12 EP disclosed