SCHEMBL7304608

SCHEMBL7304608

CS(=O)(=O)OCC1CN(CCCC2CCN(C3CCCC3)CC2)C(=O)O1

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTR7 P34969 1/20 0.33
OPRM1 P35372 2/20 0.32
OPRL1 P41146 2/20 0.32
GAA P10253 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
ALDH1A1 P00352 1/20 0.30
POLB P06746 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
SCHEMBL7316249 0.93 HTR7 (0.35) MAPK1L3MBTL1HTR7OPRM1OPRL1
SCHEMBL7313140 0.93 MAPK1 (0.39) MAPK1L3MBTL1OPRM1OPRL1
SCHEMBL7313654 0.88 MAPK1 (0.41) MAPK1L3MBTL1ALDH1A1
SCHEMBL7314450 0.85 HTR7 (0.41) MAPK1L3MBTL1HTR7CHRM2CHRM1
SCHEMBL7304775 0.82 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7315459 0.79 MAPK1 (0.46) MAPK1L3MBTL1
SCHEMBL7314320 0.79 MAPK1 (0.37) MAPK1L3MBTL1HTR7
SCHEMBL7306687 0.78 MAPK1 (0.35) MAPK1L3MBTL1
SCHEMBL7311493 0.77 MAPK1 (0.45) MAPK1L3MBTL1
SCHEMBL7229039 0.75 MAPK1 (0.36) MAPK1L3MBTL1

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