SCHEMBL7306386

SCHEMBL7306386

CCCN1CCN(CCCCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.47

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
DRD2 P14416 3/20 0.33
DRD3 P35462 1/20 0.33
PTPN1 P18031 1/20 0.32
ACP1 P24666 1/20 0.32
CDC25B P30305 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL7316915 0.91 MAPK1 (0.45) MAPK1L3MBTL1MEN1KMT2A
SCHEMBL9230345 0.87 MAPK1 (0.49) MAPK1L3MBTL1DRD2DRD3PTPN1
SCHEMBL7310863 0.85 MAPK1 (0.40) MAPK1L3MBTL1DRD2DRD3
SCHEMBL7314450 0.85 HTR7 (0.41) MAPK1L3MBTL1
SCHEMBL7305151 0.84 MAPK1 (0.39) MAPK1L3MBTL1DRD2DRD3
SCHEMBL7310668 0.84 MAPK1 (0.49) MAPK1L3MBTL1
SCHEMBL7228352 0.82 CHRM2 (0.41) MAPK1L3MBTL1
SCHEMBL8858110 0.82 ITGB3 (0.34) MAPK1L3MBTL1DRD3
SCHEMBL7308886 0.82 MAPK1 (0.49) MAPK1L3MBTL1DRD2DRD3
SCHEMBL8858181 0.81 L3MBTL1 (0.34) MAPK1L3MBTL1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5776937-A Adhesion receptor antagonists MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1998-07-07 US disclosed
EP-0727425-A1 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-08-21 EP disclosed
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed