SCHEMBL8959452

SCHEMBL8959452

CN1C(=O)CN(CCC(=O)OC(=O)C(F)(F)F)C(=O)c2cc(C#Cc3ccc(CCN)cc3)ccc21

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.54
ITGA2B P08514 5/20 0.54
TNF P01375 1/20 0.34
FFAR1 O14842 2/20 0.32
GABRG2 P18507 5/20 0.31
GABRB3 P28472 5/20 0.31
GABRA5 P31644 5/20 0.31
GABRA1 P14867 4/20 0.31
GABRA3 P34903 4/20 0.31
GABRA2 P47869 4/20 0.31
GABRB2 P47870 3/20 0.31
GABRA6 Q16445 3/20 0.31
HDAC1 Q13547 3/20 0.31
GABRA4 P48169 2/20 0.31
HDAC6 Q9UBN7 2/20 0.30
PLAU P00749 1/20 0.30

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
SCHEMBL7325755 0.93 ITGB3 (0.56) ITGB3ITGA2BFFAR1GABRG2GABRB3
Trifluoroacetic Acid SCHEMBL8959450 0.87 ITGB3 (0.66) ITGB3ITGA2BFFAR1
SCHEMBL7322487 0.87 ITGB3 (0.50) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7320884 0.87 ITGB3 (0.73) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7324548 0.86 ITGB3 (0.57) ITGB3ITGA2BHDAC1HDAC6
SCHEMBL7332360 0.86 ITGB3 (0.49) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL7331761 0.84 ITGB3 (0.40) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL9009354 0.83 ITGB3 (0.63) ITGB3ITGA2BGABRG2GABRB3GABRA5
SCHEMBL9009507 0.81 ITGB3 (0.42) ITGB3ITGA2BGABRG2GABRB3GABRA5
Trifluoroacetic Acid SCHEMBL7325747 0.80 ITGB3 (0.68) ITGB3ITGA2BFFAR1

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-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed