SCHEMBL7328666

SCHEMBL7328666

CN1C(=O)CN(C(CC(=O)OC(=O)C(F)(F)F)c2ccccc2)C(=O)c2cc(CCC(=O)NCCNC(=N)N)ccc21

nearest known ligand 0.39

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 5/20 0.39
ITGA2B P08514 5/20 0.39
SLC6A9 P48067 1/20 0.34
LMNA P02545 1/20 0.33
TP53 P04637 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ALDH1A1 P00352 1/20 0.32
TSHR P16473 1/20 0.31
BCHE P06276 1/20 0.31
ACHE P22303 1/20 0.31

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
SCHEMBL7329789 0.92 RXRA (0.32) ITGB3ITGA2BLMNATP53MEN1
SCHEMBL7329197 0.91 ITGB3 (0.32) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7334284 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7329123 0.91 HDAC3 (0.36) ITGB3ITGA2BLMNATP53MEN1
SCHEMBL7323437 0.90 ITGB3 (0.45) ITGB3ITGA2BSLC6A9LMNAMEN1
SCHEMBL7323600 0.85 ITGB3 (0.39) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7329894 0.85 SLC6A9 (0.33) ITGB3ITGA2BSLC6A9LMNAALDH1A1
SCHEMBL7330000 0.84 ITGB3 (0.48) ITGB3ITGA2BTP53
SCHEMBL7333135 0.84 ITGB3 (0.36) ITGB3ITGA2BLMNAKMT2AALDH1A1
SCHEMBL7331728 0.84 HDAC3 (0.37) ITGB3ITGA2BLMNAALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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