SCHEMBL7326730

SCHEMBL7326730

CC(C)[C@H](NC(=O)[C@H](CC(=O)O)NC(=O)CN(C)C(=O)c1ccc(NC(=N)N)cc1)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 11/20 0.41
ITGA2B P08514 11/20 0.41
F7 P08709 1/20 0.37
TDP1 Q9NUW8 1/20 0.36
FPR2 P25090 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
HTT P42858 1/20 0.35
F2 P00734 1/20 0.35
ERAP2 Q6P179 1/20 0.35

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
Trifluoroacetic Acid SCHEMBL7323357 0.95 ITGB1 (0.40) ITGB3ITGA2BF7
SCHEMBL9296637 0.90 ITGB3 (0.46) ITGB3ITGA2B
SCHEMBL9294970 0.88 ITGB3 (0.46) ITGB3ITGA2BTDP1F2
Trifluoroacetic Acid SCHEMBL7327825 0.85 ITGB3 (0.42) ITGB3ITGA2BF2
SCHEMBL7317973 0.84 ITGB3 (0.45) ITGB3ITGA2BFPR2GAAMAPT
SCHEMBL7348108 0.83 ITGB3 (0.43) ITGB3ITGA2BF7TDP1F2
SCHEMBL7322874 0.83 ITGB3 (0.47) ITGB3ITGA2BF7F2
SCHEMBL7328390 0.82 ITGB1 (0.45) ITGB3ITGA2BFPR2GAAMAPT
Trifluoroacetic Acid SCHEMBL7319506 0.81 MAPT (0.40) ITGB3ITGA2BTDP1GAAMAPT
Trifluoroacetic Acid SCHEMBL7329305 0.78 ITGB3 (0.43) ITGB3ITGA2BF7F2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0584066-A4 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES. RHONE POULENC RORER INT (US) 1994-10-12 EP disclosed
EP-0584066-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS) INC. (US) 1994-03-02 EP disclosed
WO-1992018117-A1 ANTI-THROMBOTIC PEPTIDE AND PSEUDOPEPTIDE DERIVATIVES RHONE-POULENC RORER INTERNATIONAL (HOLDINGS), INC. (US) 1992-10-29 WO disclosed