SCHEMBL12813772

SCHEMBL12813772

COc1ccc(CN2CC(c3ccc(N(C)CCN(C)C)cc3)N(c3ccc4nc[nH]c4c3)C2=O)cc1

nearest known ligand 0.47

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.47
▸ QPCTL Q9NXS2 3/20 0.46

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
SCHEMBL12733267 0.94 QPCT (0.49) QPCTQPCTL
SCHEMBL12733251 0.88 QPCT (0.47) QPCTQPCTL
SCHEMBL16864400 0.83 HDAC1 (0.36) —
SCHEMBL12733047 0.82 QPCT (0.42) QPCTQPCTL
SCHEMBL18867337 0.81 QPCT (0.45) QPCTQPCTL
SCHEMBL12801822 0.77 QPCT (0.65) QPCTQPCTL
SCHEMBL12812830 0.77 QPCT (0.42) QPCTQPCTL
SCHEMBL12733261 0.77 OPRM1 (0.36) —
SCHEMBL1444538 0.71 QPCT (0.56) QPCTQPCTL
SCHEMBL12733263 0.70 QPCT (0.70) QPCTQPCTL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2475428-B1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2015-07-01 — — EP disclosed
WO-2011029920-A1 HETEROCYLCIC DERIVATIVES AS INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2011-03-17 — — WO disclosed
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