SCHEMBL7326515

SCHEMBL7326515

CC(CC(=O)OC(=O)C(F)(F)F)N1CC(=O)N(C(C)C)c2ccc(CCCCOc3cccnc3N)cc2C1=O

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
RXRA P19793 2/20 0.32
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
TP53 P04637 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
SCHEMBL7322230 0.92 ITGB3 (0.39) ITGB3ITGA2B
SCHEMBL7319156 0.92 MEN1 (0.33) RXRAMEN1KMT2ATP53
Trifluoroacetic Acid SCHEMBL7326509 0.91 ITGB3 (0.37) RXRAITGB3ITGA2B
SCHEMBL7327346 0.90 ITGB3 (0.32) ITGB3ITGA2B
SCHEMBL9009482 0.89 PTGDR2 (0.34) ITGB3ITGA2B
SCHEMBL7324577 0.87 ITGB3 (0.37) ITGB3ITGA2B
SCHEMBL7326445 0.85 ITGB3 (0.35) RXRAITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7319152 0.84 MEN1 (0.37) RXRAITGB3ITGA2BMEN1KMT2A
SCHEMBL7321439 0.84
SCHEMBL7332680 0.83 ITGB3 (0.34) ITGB3ITGA2BMEN1KMT2ATP53

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 4 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
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed