SCHEMBL7329197

SCHEMBL7329197

N=C(N)NCCNC(=O)CCc1ccc2c(c1)C(=O)N(C(CC(=O)OC(=O)C(F)(F)F)c1ccccc1)CC(=O)N2c1ccccc1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ITGB3 P05106 2/20 0.32
ITGA2B P08514 2/20 0.32
TP53 P04637 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL7333135 0.92 ITGB3 (0.36) ITGB3ITGA2BKMT2A
SCHEMBL7328666 0.91 ITGB3 (0.39) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7324967 0.91 ITGB3 (0.32) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7329123 0.90 HDAC3 (0.36) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7329789 0.90 RXRA (0.32) ITGB3ITGA2BTP53MEN1KMT2A
SCHEMBL7353315 0.85 ITGB3 (0.32) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7332323 0.85
SCHEMBL7333904 0.85 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7326326 0.83 MEN1 (0.33) ITGB3ITGA2BMEN1KMT2A
SCHEMBL7333911 0.83 ITGB3 (0.37) ITGB3ITGA2BKMT2A

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 6 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
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