SCHEMBL7310445

SCHEMBL7310445

CCN1CCN(CCCN2CC(CN3CCN(CC(=O)OC)CC3)OC2=O)CC1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.42
ITGA2B P08514 1/20 0.42
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HTR2B P41595 2/20 0.34
SIGMAR1 Q99720 4/20 0.33
GAA P10253 1/20 0.33
MEN1 O00255 2/20 0.32
ALDH1A1 P00352 2/20 0.32
KMT2A Q03164 2/20 0.32
OPRL1 P41146 1/20 0.32
KDM4E B2RXH2 1/20 0.32
LMNA P02545 1/20 0.32
ACHE P22303 1/20 0.31

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
SCHEMBL7317102 0.91 ITGB3 (0.42) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7317060 0.91 MAPK1 (0.37) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7314702 0.91 SMN1; SMN2 (0.38) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7313586 0.89 ITGB3 (0.43) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7313570 0.88 MAPK1 (0.39) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7312627 0.87 ITGB3 (0.43) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7313685 0.85 ITGB3 (0.42) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7314513 0.85 SIGMAR1 (0.42) ITGB3ITGA2BMAPK1L3MBTL1HTR2B
SCHEMBL7306376 0.85 ITGB3 (0.42) ITGB3ITGA2BHTR2BSIGMAR1ALDH1A1
SCHEMBL7315390 0.84 HTR7 (0.39) ITGB3ITGA2BSIGMAR1

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0711770-A1 Antagonists of adhesion receptors MERCK PATENT GmbH (DE) 1996-05-15 EP disclosed