SCHEMBL7302505

SCHEMBL7302505

N=C(N)c1ccc(C(=O)NCCC(=O)N2CCN(CC(=O)O)CC2)cc1

nearest known ligand 0.69

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 14/20 0.69
ITGA2B P08514 14/20 0.69
KDM4E B2RXH2 1/20 0.49
HTT P42858 1/20 0.49
NPC1 O15118 1/20 0.46
ALOX15 P16050 1/20 0.45

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
SCHEMBL8384991 0.88 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL7304632 0.84 ITGB3 (0.57) ITGB3ITGA2BKDM4EHTTNPC1
SCHEMBL7297075 0.81 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL7307903 0.79 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL8384078 0.77 ITGB3 (0.56) ITGB3ITGA2BKDM4E
SCHEMBL7330638 0.76 ITGB3 (0.69) ITGB3ITGA2B
SCHEMBL7307289 0.75 ITGB3 (0.70) ITGB3ITGA2B
SCHEMBL9223657 0.75 ITGB3 (0.57) ITGB3ITGA2BKDM4EHTTNPC1
SCHEMBL9189037 0.75 ITGB3 (0.54) ITGB3ITGA2BKDM4EALOX15
SCHEMBL8407980 0.74 F10 (0.60) ITGB3ITGA2B

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 6 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 claimed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP claimed
EP-0445796-B1 Derivatives of acetic acid containing peptide bonds HOFFMANN LA ROCHE (CH) 1998-06-17 EP disclosed
US-5430024-A Peptides bearing N-terminal amidino moieties and their use as inhibitors of platelet aggregation HOFFMANN-LA ROCHE INC. (US) 1995-07-04 US disclosed
US-5273982-A An amidinoaryleneamidoalkylpiperazinyleneacetic acid HOFFMANN-LA ROCHE INC. (US) 1993-12-28 US disclosed
EP-0445796-A2 Derivatives of acetic acid F. HOFFMANN-LA ROCHE AG (CH) 1991-09-11 EP disclosed