SCHEMBL12813759

SCHEMBL12813759

O=C1OC[C@H](C2=CC=C(N3CCN(c4ccccc4)CC3)CC2)N1c1ccn2ccnc2c1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 5/20 0.45
▸ HRH3 Q9Y5N1 2/20 0.33
▸ AOC3 Q16853 1/20 0.31
▸ USP2 O75604 1/20 0.31
▸ MAPT P10636 1/20 0.31
▸ F10 P00742 1/20 0.30
▸ HDAC1 Q13547 1/20 0.30
▸ HDAC8 Q9BY41 1/20 0.30
▸ HDAC6 Q9UBN7 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
SCHEMBL12732949 0.84 QPCT (0.61) QPCTHDAC1HDAC8HDAC6
SCHEMBL12732681 0.78 QPCT (0.62) QPCTHDAC1HDAC8HDAC6
SCHEMBL22753763 0.78 QPCT (0.62) QPCTHDAC1HDAC8HDAC6
SCHEMBL12732942 0.75 QPCT (0.51) QPCTHRH3HDAC1HDAC8HDAC6
SCHEMBL12732947 0.75 QPCT (0.52) QPCTHRH3
SCHEMBL12732620 0.72 QPCT (0.78) QPCTHRH3
SCHEMBL12732689 0.70 QPCT (0.54) QPCTF10HDAC1HDAC8HDAC6
SCHEMBL12732940 0.68 QPCT (0.52) QPCTHRH3HDAC1HDAC8HDAC6
SCHEMBL12732938 0.68 QPCT (0.49) QPCTUSP2
SCHEMBL12805528 0.66 QPCT (0.57) QPCTHRH3AOC3MAPTF10

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-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — WO disclosed
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