SCHEMBL7317060

SCHEMBL7317060

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

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ITGB3 P05106 1/20 0.37
ITGA2B P08514 1/20 0.37
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
HTR2B P41595 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
SIGMAR1 Q99720 5/20 0.33
GAA P10253 1/20 0.33
MAOA P21397 1/20 0.33
ALDH1A1 P00352 1/20 0.32
PKM P14618 1/20 0.32
GLA P06280 1/20 0.32

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
SCHEMBL7314702 0.96 SMN1; SMN2 (0.38) MAPK1L3MBTL1ITGB3ITGA2BMEN1
SCHEMBL7307174 0.91 MAPK1 (0.39) MAPK1L3MBTL1ITGB3ITGA2BHTR2B
SCHEMBL7310445 0.91 ITGB3 (0.42) MAPK1L3MBTL1ITGB3ITGA2BMEN1
SCHEMBL7317044 0.90 SMN1; SMN2 (0.36) ITGB3ITGA2BMEN1KMT2AHTR2B
SCHEMBL7303812 0.89 MAOA (0.36) MAPK1L3MBTL1ITGB3ITGA2BHTR2B
SCHEMBL7316573 0.89 ITGB3 (0.38) MAPK1L3MBTL1ITGB3ITGA2BHTR2B
SCHEMBL7313291 0.89 HTR2B (0.40) MAPK1L3MBTL1ITGB3ITGA2BHTR2B
SCHEMBL7304510 0.88 MAPK1 (0.39) MAPK1L3MBTL1MEN1KMT2AHTR2B
SCHEMBL7313041 0.87 MAPK1 (0.39) MAPK1L3MBTL1ITGB3ITGA2BHTR2B
SCHEMBL7306499 0.87 ITGB3 (0.38) MAPK1L3MBTL1ITGB3ITGA2BHTR2B

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