SCHEMBL7332009

SCHEMBL7332009

NCCCCCc1ccc2c(c1)C(=O)N(C(CC(=O)OC(=O)C(F)(F)F)c1ccccc1)CC(=O)N2Cc1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
SSTR1 P30872 3/20 0.32
SSTR2 P30874 3/20 0.32
SSTR4 P31391 3/20 0.32
SSTR5 P35346 3/20 0.32
CPB2 Q96IY4 2/20 0.32
PTGDR2 Q9Y5Y4 3/20 0.31
SSTR3 P32745 2/20 0.31
CHRM5 P08912 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC2 Q92769 1/20 0.31
HDAC10 Q969S8 1/20 0.31
HDAC11 Q96DB2 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 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
SCHEMBL7331333 0.91 PTGDR2 (0.35) SSTR1SSTR2SSTR4SSTR5CPB2
SCHEMBL8842967 0.90 MEN1 (0.33) MEN1KMT2APTGDR2CHRM5HDAC3
SCHEMBL7425190 0.90 MEN1 (0.32) MEN1KMT2APTGDR2CHRM5HDAC3
SCHEMBL7327280 0.90 ITGB3 (0.32) MEN1KMT2ATP53ITGB3ITGA2B
SCHEMBL7331386 0.89 ITGB3 (0.37) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL9009310 0.89 ITGB3 (0.37) MEN1KMT2ASSTR1SSTR2SSTR4
Trifluoroacetic Acid SCHEMBL7332006 0.89 MEN1 (0.40) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7326326 0.89 MEN1 (0.33) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7320340 0.88 MEN1 (0.35) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7331919 0.87 PTGDR2 (0.31) MEN1KMT2APTGDR2TP53

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-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
EP-0610334-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPII b?III a? RECEPTOR. GENENTECH INC (US) 1994-08-17 EP disclosed
WO-1993008174-A1 NONPEPTIDYL INTEGRIN INHIBITORS HAVING SPECIFICITY FOR THE GPIIbIIIa RECEPTOR GENENTECH, INC. (US) 1993-04-29 WO disclosed