SCHEMBL7324977

SCHEMBL7324977

CCOC(=O)CC(c1ccccc1)N1CC(=O)N(C(C)C)c2ccc(CCCCCC#N)cc2C1=O

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
MAPT P10636 3/20 0.33
F2 P00734 1/20 0.32
RXRA P19793 1/20 0.32
TP53 P04637 1/20 0.31
POLB P06746 1/20 0.31
CNR2 P34972 1/20 0.31
F10 P00742 1/20 0.31
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
PPARG P37231 1/20 0.30
PPARA Q07869 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
SCHEMBL7327913 0.91 MEN1 (0.38) MEN1KMT2AMAPTF2TP53
SCHEMBL7327121 0.89 KMT2A (0.37) MEN1KMT2AMAPTF2TP53
SCHEMBL7334375 0.89 ITGB3 (0.35) RXRAALDH1A1PPARGPPARA
SCHEMBL7327008 0.87 TNF (0.37) MEN1KMT2AMAPTTP53POLB
SCHEMBL7333110 0.85 ITGB3 (0.37) MEN1KMT2AMAPT
SCHEMBL7322514 0.85 UTS2R (0.37) MEN1KMT2AMAPT
SCHEMBL7357194 0.84 MEN1 (0.34) MEN1KMT2AMAPT
SCHEMBL7331017 0.83 KDM4E (0.31) F2TP53F10KDM4EALDH1A1
SCHEMBL7334373 0.82 MEN1 (0.39) MEN1KMT2AMAPTTP53POLB
SCHEMBL7327871 0.81 ITGB3 (0.35) KMT2AMAPTKDM4EALDH1A1PPARG

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-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