SCHEMBL7314320

SCHEMBL7314320

CS(=O)(=O)OCC1CN(CCN2CCN(C3CC3)CC2)C(=O)O1

nearest known ligand 0.37

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR7 P34969 1/20 0.35
KDM1A O60341 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
SCHEMBL7314450 0.88 HTR7 (0.41) MAPK1L3MBTL1HTR7
SCHEMBL7305151 0.88 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7313140 0.82 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7305380 0.80 MAPK1 (0.46) MAPK1L3MBTL1HTR7
SCHEMBL7316249 0.80 HTR7 (0.35) MAPK1L3MBTL1HTR7
SCHEMBL7306386 0.80 MAPK1 (0.47) MAPK1L3MBTL1
SCHEMBL7316915 0.80 MAPK1 (0.45) MAPK1L3MBTL1HTR7
SCHEMBL7304608 0.79 MAPK1 (0.38) MAPK1L3MBTL1HTR7
SCHEMBL9230345 0.79 MAPK1 (0.49) MAPK1L3MBTL1
SCHEMBL7236582 0.78 CHRM2 (0.38)

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