SCHEMBL7389396

SCHEMBL7389396

CCOC(=O)CC(NC(=O)CCNC(=O)Nc1ccc(C(=N)N)cc1)c1cccnc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 8/20 0.64
ITGA2B P08514 8/20 0.64
F7 P08709 9/20 0.46
F2 P00734 6/20 0.46
KMT2A Q03164 1/20 0.46
CASR P41180 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
SCHEMBL7382919 0.93 ITGB3 (0.61) ITGB3ITGA2BF7F2KMT2A
SCHEMBL7387361 0.92 ITGB3 (0.60) ITGB3ITGA2BF7F2
SCHEMBL9394443 0.92 ITGB3 (0.60) ITGB3ITGA2BF7F2
SCHEMBL6984596 0.91 ITGB3 (0.76) ITGB3ITGA2BF2
SCHEMBL7388209 0.88 ITGB3 (0.59) ITGB3ITGA2BF7F2KMT2A
SCHEMBL9390814 0.88 ITGB3 (0.82) ITGB3ITGA2BF7F2
SCHEMBL9394056 0.87 ITGB3 (0.55) ITGB3ITGA2BF7F2
SCHEMBL7388211 0.87 ITGB3 (0.57) ITGB3ITGA2BF7F2KMT2A
SCHEMBL9394717 0.85 ITGB3 (0.60) ITGB3ITGA2BF7F2KMT2A
SCHEMBL7387186 0.85 ITGB3 (0.55) ITGB3ITGA2BF7F2KMT2A

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
US-5624956-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1997-04-29 US disclosed
US-5475025-A Urea derivatives useful as platelet aggregation inhibitors THE MONSANTO COMPANY (US) 1995-12-12 US disclosed
US-5314902-A Thioureas and guanidine compounds, anticoagulants MONSANTO COMPANY (US) 1994-05-24 US disclosed