SCHEMBL7316249

SCHEMBL7316249

CS(=O)(=O)OCC1CN(CCC2CCN(C3CCCCC3)CC2)C(=O)O1

nearest known ligand 0.35

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.35
MAPK1 P28482 2/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
KMT2A Q03164 2/20 0.32
GRM2 Q14416 2/20 0.32
KDM4E B2RXH2 2/20 0.32
HRH3 Q9Y5N1 1/20 0.32
GAA P10253 1/20 0.32
ALDH1A1 P00352 4/20 0.31
HTT P42858 1/20 0.31
POLB P06746 1/20 0.31
MEN1 O00255 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL7304608 0.93 MAPK1 (0.38) HTR7MAPK1L3MBTL1OPRM1OPRL1
SCHEMBL7313140 0.87 MAPK1 (0.39) MAPK1L3MBTL1OPRM1OPRL1
SCHEMBL7314450 0.84 HTR7 (0.41) HTR7MAPK1L3MBTL1
SCHEMBL7306687 0.83 MAPK1 (0.35) MAPK1L3MBTL1HRH3
SCHEMBL7313654 0.80 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1
SCHEMBL7314320 0.80 MAPK1 (0.37) HTR7MAPK1L3MBTL1
SCHEMBL7313926 0.78 ACHE (0.51) MAPK1L3MBTL1
SCHEMBL7304775 0.77 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7229039 0.76 MAPK1 (0.36) MAPK1L3MBTL1
SCHEMBL12356915 0.75 HTR2B (0.40) GRM2GAAPOLB

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