SCHEMBL7712960

SCHEMBL7712960

O=C(C1Cc2ccccc2N1)N1CC(O)C1

nearest known ligand 0.59

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.59
MAPT P10636 1/20 0.59
SMYD3 Q9H7B4 1/20 0.39
DPP7 Q9UHL4 2/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
HDAC2 Q92769 2/20 0.36
DPP4 P27487 4/20 0.35
FAP Q12884 2/20 0.35
DRD3 P35462 3/20 0.34
HTR1A P08908 2/20 0.34
HTR2A P28223 2/20 0.34
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
BRD4 O60885 1/20 0.33
CREBBP Q92793 1/20 0.33
DRD2 P14416 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
SCHEMBL4999724 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL4999549 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL4999554 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL4999728 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL5002825 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL5002820 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL4999828 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL4999832 0.84 GAA (0.55) GAAMAPTDPP7DPP8DPP9
SCHEMBL14073993 0.83 GAA (0.61) GAAMAPTSMYD3HDAC2DPP4
SCHEMBL4999846 0.82 GAA (0.59) GAAMAPTSMYD3HDAC2DPP4

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-2011143495-A1 HETEROARYLOXYHETEROCYCLYL COMPOUNDS AS PDE10 INHIBITORS AMGEN INC. (US) 2011-11-17 WO disclosed