SCHEMBL7329871

SCHEMBL7329871

CCOC(=O)CCN1CC(=O)N(C(=O)c2ccc(CC)cc2)c2ccc(I)cc2C1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 9/20 0.39
GABRA5 P31644 9/20 0.39
GABRG2 P18507 8/20 0.39
GABRB3 P28472 8/20 0.39
GABRA3 P34903 8/20 0.39
GABRA2 P47869 8/20 0.39
GABRA6 Q16445 7/20 0.39
GABRB2 P47870 3/20 0.39
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
TNF P01375 2/20 0.35
PDE5A O76074 1/20 0.34
GABRA4 P48169 2/20 0.33
ACHE P22303 1/20 0.33
GABRP O00591 1/20 0.33
GABRD O14764 1/20 0.33
ALDH1A1 P00352 1/20 0.33
CYP1A2 P05177 1/20 0.33

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
SCHEMBL7329877 0.85 ALDH1A1 (0.39) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL7325381 0.82 ITGB3 (0.46) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL7328979 0.78 HDAC6 (0.41) MEN1KMT2AALDH1A1
SCHEMBL7332495 0.77 ALDH1A1 (0.40) MEN1KMT2AITGB3ITGA2BTNF
SCHEMBL7331430 0.77 PTPN1 (0.35) MEN1KMT2AITGB3ITGA2BTNF
SCHEMBL7329514 0.76 HSP90AA1 (0.43) ALDH1A1
SCHEMBL7335737 0.76 CTRB1 (0.41) MEN1KMT2AACHEALDH1A1CYP1A2
SCHEMBL7326762 0.76 AGTR1 (0.39) GABRA1GABRA5GABRG2GABRB3GABRA3
SCHEMBL7323943 0.76 CHRM5 (0.40) MEN1KMT2AALDH1A1
SCHEMBL7329007 0.75 ALDH1A1 (0.37) MEN1KMT2ATNFACHEALDH1A1

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