SCHEMBL7326326

SCHEMBL7326326

NCCCCCc1ccc2c(c1)C(=O)N(C(CC(=O)OC(=O)C(F)(F)F)c1ccccc1)CC(=O)N2c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
SSTR1 P30872 2/20 0.31
SSTR2 P30874 2/20 0.31
SSTR4 P31391 2/20 0.31
SSTR5 P35346 2/20 0.31
ITGB3 P05106 1/20 0.30
ITGA2B P08514 1/20 0.30
SSTR3 P32745 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
SCHEMBL7330697 0.91 ITGB3 (0.35) KMT2ASSTR1SSTR2SSTR4SSTR5
SCHEMBL7331386 0.90 ITGB3 (0.37) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL9009310 0.90 ITGB3 (0.37) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL8842584 0.90 MEN1 (0.33) MEN1KMT2A
SCHEMBL7324967 0.89 ITGB3 (0.32) MEN1KMT2AITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL7326321 0.89 MEN1 (0.41) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7332009 0.89 MEN1 (0.33) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7320340 0.89 MEN1 (0.35) MEN1KMT2ASSTR1SSTR2SSTR4
SCHEMBL7334108 0.87 MEN1 (0.31) MEN1KMT2A
SCHEMBL7353315 0.86 ITGB3 (0.32) MEN1KMT2AITGB3ITGA2B

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