SCHEMBL7334902

SCHEMBL7334902

CN1C(=O)CN(CCC(=O)O)C(=O)c2cc(CCCCCN)ccc21

nearest known ligand 0.55

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 10/20 0.55
ITGA2B P08514 9/20 0.55
KDM4E B2RXH2 2/20 0.41
ALOX15 P16050 1/20 0.41
TSHR P16473 1/20 0.41
SIRT1 Q96EB6 1/20 0.41
S1PR1 P21453 2/20 0.41
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
RXRA P19793 1/20 0.35
ITGAV P06756 1/20 0.33
OXER1 Q8TDS5 2/20 0.32
NR1H2 P55055 1/20 0.32
NR1H3 Q13133 1/20 0.32
S1PR2 O95136 1/20 0.32
S1PR3 Q99500 1/20 0.32

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 SCHEMBL7331756 0.94 ITGB3 (0.50) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7322450 0.86 KDM4E (0.43) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7322965 0.86 ITGB3 (0.56) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7359281 0.84 ITGB3 (0.40) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7356465 0.84 PTGDR2 (0.42) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7331761 0.84 ITGB3 (0.40) ITGB3ITGA2BRXRA
SCHEMBL7357560 0.84 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL7361697 0.84 ITGB3 (0.43) ITGB3ITGA2BKDM4EALOX15TSHR
SCHEMBL8959490 0.84 KDM4E (0.41) ITGB3ITGA2BKDM4EALOX15TSHR
Trifluoroacetic Acid SCHEMBL7331729 0.81 ITGB3 (0.51) 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