SCHEMBL8628345

SCHEMBL8628345

N=C(N)c1ccc(NC(=O)NCC(=O)NC(CC(=O)O)c2ccccc2)cc1

nearest known ligand 0.76

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F7 P08709 15/20 0.76
ITGB3 P05106 5/20 0.74
ITGA2B P08514 5/20 0.74
F2 P00734 8/20 0.72
F10 P00742 2/20 0.63

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
SCHEMBL7381831 0.90 F7 (0.62) F7ITGB3ITGA2BF2F10
SCHEMBL9389691 0.89 ITGB3 (0.77) F7ITGB3ITGA2BF2F10
SCHEMBL7385792 0.89 ITGB3 (0.77) F7ITGB3ITGA2BF2F10
SCHEMBL4419447 0.86 F7 (1.00) F7F2F10
SCHEMBL7178442 0.85 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL8917809 0.85 F7 (0.69) F7ITGB3ITGA2BF2F10
SCHEMBL235788 0.84 F7 (1.00) F7F2F10
SCHEMBL13936352 0.84 F7 (1.00) F7F2F10
SCHEMBL8897708 0.81 F7 (0.49) F7ITGB3ITGA2BF2F10
SCHEMBL9390814 0.80 ITGB3 (0.82) F7ITGB3ITGA2BF2

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-0689549-B1 NEW UREA DERIVATES, THEIR PREPARATION AND THEIR USE HOECHST AG (DE) 1998-06-17 EP disclosed
US-5703050-A INHIBIT PLATELET AGGREGATION, METASTASIS OF CARCINOMA CELLS, OSTEOCLAST BINDING TO BONE SURFACE HOECHST AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
WO-1994022907-A1 NEW UREA DERIVATES, THEIR PREPARATION AND THEIR USE HOECHST AKTIENGESELLSCHAFT (DE) 1994-10-13 WO disclosed