SCHEMBL7306687

SCHEMBL7306687

CC(C)N1CCC(CCN2CC(COS(C)(=O)=O)OC2=O)CC1

nearest known ligand 0.35

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
HRH3 Q9Y5N1 1/20 0.31
LMNA P02545 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 0.83 HTR7 (0.35) MAPK1L3MBTL1HRH3
SCHEMBL7310863 0.82 MAPK1 (0.40) MAPK1L3MBTL1HRH3
SCHEMBL8858166 0.82 ITGB3 (0.33)
SCHEMBL7313654 0.82 MAPK1 (0.41) MAPK1L3MBTL1
SCHEMBL8858082 0.80 KDM4E (0.34) L3MBTL1
SCHEMBL7313926 0.79 ACHE (0.51) MAPK1L3MBTL1
SCHEMBL7229332 0.79 HTR2B (0.38) HRH3
SCHEMBL7313140 0.78 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7304775 0.78 MAPK1 (0.39) MAPK1L3MBTL1
SCHEMBL7229039 0.78 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 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