SCHEMBL7314450

SCHEMBL7314450

CS(=O)(=O)OCC1CN(CCCCN2CCN(C3CCCCC3)CC2)C(=O)O1

nearest known ligand 0.44

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 1/20 0.41
GRIN1 Q05586 2/20 0.38
GRIN2B Q13224 2/20 0.38
MAPK1 P28482 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
CHRM2 P08172 1/20 0.38
CHRM1 P11229 1/20 0.38

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
SCHEMBL7314320 0.88 MAPK1 (0.37) HTR7MAPK1L3MBTL1
SCHEMBL7304608 0.85 MAPK1 (0.38) HTR7MAPK1L3MBTL1CHRM2CHRM1
SCHEMBL7306386 0.85 MAPK1 (0.47) MAPK1L3MBTL1
SCHEMBL7316249 0.84 HTR7 (0.35) HTR7MAPK1L3MBTL1
SCHEMBL7316915 0.82 MAPK1 (0.45) HTR7MAPK1L3MBTL1
SCHEMBL7313140 0.82 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7310863 0.80 MAPK1 (0.40) MAPK1L3MBTL1
SCHEMBL7305151 0.79 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7310668 0.78 MAPK1 (0.49) HTR7MAPK1L3MBTL1
SCHEMBL7228352 0.77 CHRM2 (0.41) MAPK1L3MBTL1CHRM2CHRM1

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