SCHEMBL7327618

SCHEMBL7327618

COc1ccc(CN2C(=O)CN(CCC(=O)OC(=O)C(F)(F)F)C(=O)c3cc(CCCCCNC(=N)N)ccc32)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM5 P08912 2/20 0.36
HDAC6 Q9UBN7 1/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2C19 P33261 2/20 0.35
ALDH1A1 P00352 2/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.33
CACNA1G O43497 2/20 0.33
ALOX15 P16050 1/20 0.33
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
KDM4E B2RXH2 1/20 0.32
HTT P42858 1/20 0.32
PTGDR2 Q9Y5Y4 1/20 0.32
ITGB3 P05106 1/20 0.32
ITGA2B P08514 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
SCHEMBL7321624 1.00 CHRM5 (0.36) CHRM5HDAC6CYP3A4CYP2C19ALDH1A1
SCHEMBL7326961 0.92 CHRM5 (0.37) CHRM5PTGDR2ITGB3ITGA2B
SCHEMBL8836971 0.92 CHRM5 (0.37) CHRM5PTGDR2ITGB3ITGA2B
SCHEMBL8836947 0.92 ALDH1A1 (0.37) CHRM5ALDH1A1CA12CA1CA2
SCHEMBL7320353 0.92 ALDH1A1 (0.37) CHRM5ALDH1A1CA12CA1CA2
Trifluoroacetic Acid SCHEMBL7327609 0.90 ITGB3 (0.39) CHRM5HDAC6CYP3A4CYP2C19ALDH1A1
Trifluoroacetic Acid SCHEMBL7321610 0.90 ITGB3 (0.39) CHRM5HDAC6CYP3A4CYP2C19ALDH1A1
SCHEMBL9285955 0.90 CTRB1 (0.36) HDAC6ITGB3ITGA2B
SCHEMBL7332796 0.89 CHRM5 (0.39) CHRM5HDAC6CA12CA1CA2
SCHEMBL8836823 0.89 CHRM5 (0.39) CHRM5HDAC6CA12CA1CA2

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