SCHEMBL7322965

SCHEMBL7322965

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(CCCCCNC(=N)N)ccc21

nearest known ligand 0.56

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.56
ITGA2B P08514 10/20 0.56
S1PR1 P21453 1/20 0.37
KDM4E B2RXH2 2/20 0.36
ALOX15 P16050 1/20 0.36
TSHR P16473 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
LIPG Q9Y5X9 6/20 0.35
LIPC P11150 1/20 0.33

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
Trifluoroacetic Acid SCHEMBL7331729 0.95 ITGB3 (0.51) ITGB3ITGA2BS1PR1KDM4EALOX15
SCHEMBL7331731 0.86 ITGB3 (0.42) ITGB3ITGA2BLIPG
SCHEMBL7334902 0.86 ITGB3 (0.55) ITGB3ITGA2BS1PR1KDM4EALOX15
SCHEMBL7354810 0.86 ITGB3 (0.41) ITGB3ITGA2BS1PR1KDM4EALOX15
Trifluoroacetic Acid SCHEMBL7326800 0.84 ITGB3 (0.40) ITGB3ITGA2BS1PR1KDM4EALOX15
SCHEMBL7358851 0.82 ITGB3 (0.39) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7322312 0.82 ITGB3 (0.42) ITGB3ITGA2BS1PR1LIPG
Trifluoroacetic Acid SCHEMBL7325181 0.82 ITGB3 (0.42) ITGB3ITGA2BS1PR1LIPG
Trifluoroacetic Acid SCHEMBL7320344 0.82 ALDH1A1 (0.39) ITGB3ITGA2BALDH1A1
Trifluoroacetic Acid SCHEMBL7353937 0.82 ITGB3 (0.38) ITGB3ITGA2BKDM4EALOX15TSHR

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 9 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5674863-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5674865-A BENZODIAZEPINEDIONE DERIVATIVE; FIBRINOGIN BINDING INHIBITOR GENENTECH, INC. (US) 1997-10-07 US disclosed
US-5663166-A ANTICOAGULANTS OF 1,4-BENZODIAZEPINE-2,5-DIONE AND 2-BENZOAZEPINE-1,4-DIONE DERIVATIVES; PREVENTS FIBRINOGEN BINDING NECESSARY FOR PLATELET AGGREGATION; SIDE EFFECT REDUCTION, E.G. EXCESSIVE BLEEDING GENENTECH, INC. (US) 1997-09-02 US disclosed
US-5565449-A PLATELET AGGREGATION INHIBITORS GENENTECH, INC. (US) 1996-10-15 US disclosed
EP-0610334-B1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII B III A RECEPTOR GENENTECH INC (US) 1996-01-24 EP disclosed
US-5403836-A Anticoagulants GENENTECH, INC. (US) 1995-04-04 US disclosed
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
US-5250679-A Nonpeptidyl platelet aggregation inhibitors having specificity for the GPIIb III.sub. receptor GENENTECH, INC. (US) 1993-10-05 US disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed