SCHEMBL7420920

SCHEMBL7420920

CCOC(=O)CCc1cccc(NC(=O)NC2CCN(c3ccc(C#N)cc3)C2=O)c1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 1/20 0.49
ITGA2B P08514 1/20 0.49
FPR2 P25090 10/20 0.49
FPR1 P21462 7/20 0.43
HDAC1 Q13547 1/20 0.43
HDAC8 Q9BY41 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
USP14 P54578 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.41
NPY1R P25929 2/20 0.40
ROCK2 O75116 2/20 0.40
CCR3 P51677 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
SCHEMBL7420917 1.00 ITGB3 (0.49) ITGB3ITGA2BFPR2FPR1HDAC1
Trifluoroacetic Acid SCHEMBL8121463 0.95 FPR2 (0.46) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL8117283 0.86 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL8117290 0.86 ITGB3 (0.68) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL8117293 0.86 ITGB3 (0.50) ITGB3ITGA2BFPR2FPR1NPY1R
Trifluoroacetic Acid SCHEMBL7422390 0.82 ITGB3 (0.62) ITGB3ITGA2BFPR2FPR1NPY1R
Trifluoroacetic Acid SCHEMBL7422393 0.81 ITGB3 (0.46) ITGB3ITGA2BFPR2FPR1NPY1R
SCHEMBL7420718 0.81 ITGB3 (0.72) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL7415603 0.81 ITGB3 (0.72) ITGB3ITGA2BFPR2FPR1HDAC1
SCHEMBL27368967 0.80 ITGB3 (0.65) ITGB3ITGA2BFPR2FPR1HDAC1

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
WO-1994022820-A1 1-AMIDINOPHENYL-PYRROLIDONES PIPERIDINONES AZETINONES AS PLATELET AGGREGATION INHIBITORS G.D. SEARLE & CO. (US) 1994-10-13 WO disclosed