SCHEMBL7329669

SCHEMBL7329669

Cc1cc(OCCCc2ccc3c(c2)C(=O)N(C(C)CC(=O)OC(=O)C(F)(F)F)CC(=O)N3Cc2ccccc2)nc(N)n1

nearest known ligand 0.32

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.32
EDNRB P24530 7/20 0.32
EDNRA P25101 7/20 0.32
ITGB3 P05106 3/20 0.31
ITGA2B P08514 3/20 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
SCHEMBL7332859 0.93 EDNRB (0.32) PTGDR2EDNRBEDNRA
Trifluoroacetic Acid SCHEMBL7329664 0.92 ITGB3 (0.35) PTGDR2EDNRBEDNRAITGB3ITGA2B
SCHEMBL7332354 0.90 ITGB3 (0.31) ITGB3ITGA2B
SCHEMBL7333196 0.89 ITGB3 (0.38) ITGB3ITGA2B
SCHEMBL7334478 0.89 RXRA (0.32) ITGB3ITGA2B
SCHEMBL7332960 0.87 ITGB3 (0.37) EDNRBEDNRAITGB3ITGA2B
SCHEMBL7324082 0.86 MDM2 (0.33)
Trifluoroacetic Acid SCHEMBL7332854 0.85 MEN1 (0.36) PTGDR2EDNRBEDNRAITGB3ITGA2B
SCHEMBL7334599 0.84 RXRA (0.31)
SCHEMBL7328314 0.84 ITGB3 (0.33) ITGB3ITGA2B

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