SCHEMBL8316420

SCHEMBL8316420

O=C(O)COc1ccc(C(=O)CN2CCN(C3CCNCC3)CC2=O)cc1Cn1ccnc1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 5/20 0.45
ITGB3 P05106 1/20 0.36
ITGA2B P08514 1/20 0.36
ALPG P10696 2/20 0.34
ALPI P09923 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
PLAA Q9Y263 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
CYP19A1 P11511 3/20 0.33
BRD4 O60885 1/20 0.33
CYP11B1 P15538 1/20 0.33
CYP11B2 P19099 1/20 0.33
F10 P00742 2/20 0.32
ALDH1A1 P00352 1/20 0.31
SLC7A11 Q9UPY5 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
Trifluoroacetic Acid SCHEMBL8317327 0.96 TBXAS1 (0.42) TBXAS1ITGB3ITGA2BALPGALPI
SCHEMBL8317871 0.90 TBXAS1 (0.47) TBXAS1ITGB3ITGA2BALPGALPI
SCHEMBL8317329 0.89 TBXAS1 (0.34) TBXAS1ALPGALPITDP1PLAA
SCHEMBL8319261 0.88 TBXAS1 (0.41) TBXAS1BRD4
Trifluoroacetic Acid SCHEMBL8319827 0.86 TBXAS1 (0.43) TBXAS1ITGB3ITGA2BALPGALPI
SCHEMBL9030587 0.84 ITGB3 (0.50) ITGB3ITGA2BTDP1L3MBTL1F10
SCHEMBL8316433 0.82 ITGB3 (0.37) ITGB3ITGA2BALDH1A1
SCHEMBL8319204 0.82 ITGB3 (0.35) ITGB3ITGA2B
Trifluoroacetic Acid SCHEMBL9029743 0.79 ITGB3 (0.48) ITGB3ITGA2BF10
SCHEMBL8319830 0.79 TBXAS1 (0.35) TBXAS1ALPGALPITDP1PLAA

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0897920-A1 NOVEL HETEROCYCLIC COMPOUNDS HAVING PLATELET AGGREGATION INHIBITORY EFFECTS MEIJI SEIKA KABUSHIKI KAISHA (JP) 1999-02-24 EP claimed
EP-0897387-A1 NEW BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS Sanochemia Ltd. (MT) 1999-02-24 EP disclosed
WO-1997040049-A1 NEW BENZAZEPINE DERIVATIVES, MEDICAMENTS CONTAINING THE SAME AND THEIR USE TO PREPARE MEDICAMENTS SANOCHEMIA LTD. (MT) 1997-10-30 WO disclosed