SCHEMBL8268993

SCHEMBL8268993

O=C1Cc2cc(O)c(O)cc2C=CN1

nearest known ligand 0.58

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.51
ADCY6 O43306 1/20 0.32
ADCY3 O60266 1/20 0.32
ADCY9 O60503 1/20 0.32
ADCY5 O95622 1/20 0.32
ADCY8 P40145 1/20 0.32
ADCY7 P51828 1/20 0.32
ADCY2 Q08462 1/20 0.32
ADCY1 Q08828 1/20 0.32
ADCY4 Q8NFM4 1/20 0.32

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
SCHEMBL5044573 0.79 GAA (0.60) GAA
SCHEMBL9214465 0.78 GAA (0.55) GAA
SCHEMBL7951439 0.77 GAA (0.48) GAA
SCHEMBL11038245 0.75 GAA (0.53) GAA
SCHEMBL18403857 0.74 GSK3A (0.43) ADCY6ADCY3ADCY9ADCY5ADCY8
SCHEMBL9214873 0.74 GAA (0.48) GAA
SCHEMBL21550076 0.73 GAA (0.50) GAA
SCHEMBL28634068 0.70 GAA (0.58) GAA
SCHEMBL11041593 0.70 GAA (0.51) GAA
SCHEMBL3132084 0.69 GAA (0.54) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005111026-A1 NOVEL METHOD OF SYNTHESISING 1,3-DIHYDRO-2H-3-BENZAZEPIN-2-ONE DERIVATIVES AND USE THEREOF IN THE SYNTHESIS OF IVABRADINE AND THE SALTS THEREOF FOR ADDITION TO A PHARMACEUTICALLY ACCEPTABLE ACID LES LABOIRATOIRES SERVIER (FR) 2005-11-24 WO disclosed