SCHEMBL7307903

SCHEMBL7307903

CC(C)(C)C1CN(C(=O)CCNC(=O)c2ccc(C(=N)N)cc2)CCN1CC(=O)O

nearest known ligand 0.57

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 17/20 0.57
ITGA2B P08514 17/20 0.57
ALDH1A1 P00352 1/20 0.43
GFER P55789 1/20 0.43
TPSAB1 Q15661 1/20 0.43

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
SCHEMBL7302505 0.79 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7307202 0.74 SIGMAR1 (0.34) ITGB3ITGA2B
SCHEMBL7304632 0.73 ITGB3 (0.57) ITGB3ITGA2BALDH1A1GFERTPSAB1
SCHEMBL7297075 0.73 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9223657 0.71 ITGB3 (0.57) ITGB3ITGA2BALDH1A1GFERTPSAB1
SCHEMBL8384991 0.68 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7307289 0.68 ITGB3 (0.70) ITGB3ITGA2BTPSAB1
SCHEMBL8407980 0.66 F10 (0.60) ITGB3ITGA2BTPSAB1
SCHEMBL2344986 0.66 ITGB3 (0.56) ITGB3ITGA2BTPSAB1
SCHEMBL8693493 0.65 ITGB3 (0.48) ITGB3ITGA2BTPSAB1

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-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed