SCHEMBL7302533

SCHEMBL7302533

CCOC(=O)COC1CCN(C(=O)CNC(=O)c2ccc(C(=N)NC(=O)c3ccccc3)cc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
SMN1; SMN2 Q16637 1/20 0.48
P2RY12 Q9H244 2/20 0.46
KDM4E B2RXH2 1/20 0.46
CHRM5 P08912 3/20 0.45
CHRM2 P08172 1/20 0.45
CHRM3 P20309 1/20 0.45
CHRM1 P11229 4/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
LDHA P00338 1/20 0.40
CHRM4 P08173 1/20 0.39

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
SCHEMBL7315714 0.85 ITGB3 (0.75) ITGB3ITGA2BP2RY12KDM4ECHRM5
SCHEMBL7308440 0.82 ITGB3 (0.70) ITGB3ITGA2BP2RY12RAB9AKMT2A
SCHEMBL7310770 0.80 ITGB3 (0.78) ITGB3ITGA2BKMT2A
SCHEMBL7317003 0.77 ITGB3 (0.43) ITGB3ITGA2BSMN1; SMN2P2RY12KDM4E
SCHEMBL8770179 0.76 ITGB3 (0.74) ITGB3ITGA2BKMT2A
SCHEMBL7282873 0.74 ITGB3 (0.67) ITGB3ITGA2BSMN1; SMN2
Iodide SCHEMBL8882822 0.74 ITGB3 (0.53) ITGB3ITGA2BSMN1; SMN2KMT2A
SCHEMBL8770307 0.72 ITGB3 (0.60) ITGB3ITGA2BSMN1; SMN2P2RY12KDM4E
SCHEMBL8770620 0.71 ITGB3 (0.55) ITGB3ITGA2BSMN1; SMN2KDM4EKMT2A
SCHEMBL7292407 0.71 ITGB3 (0.48) ITGB3ITGA2BSMN1; SMN2KMT2A

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-0741133-A2 Adhesion receptor antagonists MERCK PATENT GmbH (DE) 1996-11-06 EP disclosed