SCHEMBL7213402

SCHEMBL7213402

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

nearest known ligand 0.77

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 20/20 0.77
ITGA2B P08514 20/20 0.77

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
SCHEMBL6128667 0.87 ITGB3 (0.76) ITGB3ITGA2B
SCHEMBL7409072 0.86 ITGB3 (0.73) ITGB3ITGA2B
SCHEMBL7213400 0.86 ITGB3 (1.00) ITGB3ITGA2B
SCHEMBL5144246 0.85 ITGB3 (0.57) ITGB3ITGA2B
SCHEMBL7219511 0.85 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7219528 0.85 ITGB3 (0.83) ITGB3ITGA2B
SCHEMBL7220986 0.80 ITGB3 (0.83) ITGB3ITGA2B
Roxifiban SCHEMBL24336949 0.80 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL344302 0.80 ITGB3 (1.00) ITGB3ITGA2B
Roxifiban SCHEMBL919675 0.79 ITGB3 (0.95) 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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US claimed
US-20020132276-A1 FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-19 US claimed
US-20020081632-A1 Assays to assess conformational changes of integrins induced by ligand binding based on electrophoretic mobility BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-20020081624-A1 DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US claimed
US-6623981-B2 Detecting antibodies which bind integrin bound modulators; obtain sample, incubate with modulators and antibodies, form complexes, screen for bound complex BRISTOL-MYERS SQUIBB COMPANY 2003-09-23 US disclosed
US-20020132276-A1 FACS method for detecton of GPIIb/IIIa inhibitor dependent activators in plasma samples BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-09-19 US disclosed
US-20020081632-A1 Assays to assess conformational changes of integrins induced by ligand binding based on electrophoretic mobility BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US disclosed
US-20020081624-A1 DETECTION OF PATIENTS AT RISK FOR DEVELOPING INTEGRIN ANTAGONIST/ AGONIST MEDIATED DISEASE STATES BRISTOL-MYERS SQUIBB PHARMA COMPANY 2002-06-27 US disclosed