SCHEMBL7748060

SCHEMBL7748060

Cc1noc(C)c1S(=O)(=O)N[C@@H](CNC(=O)C[C@H]1CC(c2ccc(C(=N)N)cc2)=NO1)C(=O)O

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 20/20 1.00
▸ ITGA2B P08514 20/20 1.00

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
SCHEMBL7449964 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7442644 0.81 ITGB3 (0.68) ITGB3ITGA2B
SCHEMBL7447180 0.81 ITGB3 (0.68) ITGB3ITGA2B
Hydrochloric Acid SCHEMBL7450135 0.81 ITGB3 (0.68) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7793879 0.78 ITGB3 (0.64) ITGB3ITGA2B
SCHEMBL7090791 0.77 ITGB3 (0.89) ITGB3ITGA2B
SCHEMBL21706030 0.75 ITGB3 (0.75) ITGB3ITGA2B
SCHEMBL7213411 0.75 ITGB3 (0.59) ITGB3ITGA2B
SCHEMBL7213400 0.74 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL9093406 0.73 ITGB3 (0.57) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6794412-B1 Treatment of thrombosis by combined use of a factor Xa inhibitor and aspirin BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
US-6794412-B1 Treatment of thrombosis by combined use of a factor Xa inhibitor and aspirin BRISTOL-MYERS SQUIBB PHARMA COMPANY 2004-09-21 — — US disclosed
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