SCHEMBL6675140

SCHEMBL6675140

CCC(C)[C@@H]1c2cc(C(=O)N(C)CCc3ccncc3)ccc2CNC(=O)[C@@H]1CC(=O)O

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 13/20 0.42
ITGA2B P08514 11/20 0.42
ROCK2 O75116 2/20 0.40
ITGAV P06756 3/20 0.36
TLR9 Q9NR96 1/20 0.35
TLR8 Q9NR97 1/20 0.35
TLR7 Q9NYK1 1/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
CDK2 P24941 1/20 0.34
ROCK1 Q13464 1/20 0.34
NAMPT P43490 1/20 0.34
HDAC1 Q13547 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL7438405 0.77 ITGB3 (0.67) ITGB3ITGA2BROCK2ITGAVROCK1
SCHEMBL6700351 0.70 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL8019041 0.70 ITGB3 (0.55) ITGB3ITGA2BITGAV
SCHEMBL6950004 0.69 ITGB3 (0.66) ITGB3ITGA2BROCK2ITGAV
SCHEMBL6674851 0.68 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6674848 0.68 ITGB3 (0.61) ITGB3ITGA2BITGAV
SCHEMBL6947924 0.66 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6947929 0.66 ITGB3 (0.74) ITGB3ITGA2BITGAV
SCHEMBL6674305 0.66 ITGB3 (0.69) ITGB3ITGA2BROCK2ITGAV
SCHEMBL6945833 0.65 ITGB3 (0.72) ITGB3ITGA2BROCK2ITGAV

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
EP-1435958-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GmbH (DE) 2004-07-14 EP disclosed
WO-2003032993-A1 USE OF PHOSPHORODIESTERASE IV INHIBITORS MERCK PATENT GMBH (DE) 2003-04-24 WO disclosed