SCHEMBL14217791

SCHEMBL14217791

O=C(C/N=C1/NC(=O)N(c2ccc3[nH]cnc3c2)C1c1ccc(Cl)c(F)c1)N1CCC(O)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ QPCT Q16769 19/20 0.41
▸ MMP2 P08253 1/20 0.34
▸ ADAMTS5 Q9UNA0 1/20 0.34
▸ QPCTL Q9NXS2 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
SCHEMBL5056876 1.00 QPCT (0.41) QPCTMMP2ADAMTS5QPCTL
SCHEMBL14076605 0.93 QPCT (0.35) QPCTMMP2ADAMTS5
SCHEMBL5056669 0.90 QPCT (0.48) QPCTQPCTL
SCHEMBL14076710 0.90 QPCT (0.48) QPCTQPCTL
SCHEMBL5063838 0.89 QPCT (0.42) QPCTMMP2ADAMTS5QPCTL
SCHEMBL14076637 0.89 QPCT (0.42) QPCTMMP2ADAMTS5QPCTL
SCHEMBL5053565 0.87 QPCT (0.36) QPCTQPCTL
SCHEMBL14076609 0.86 QPCT (0.51) QPCTQPCTL
SCHEMBL5062254 0.86 QPCT (0.51) QPCTQPCTL
SCHEMBL5063723 0.85 QPCT (0.36) QPCTMMP2ADAMTS5

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-2091945-B1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2014-01-15 — — EP disclosed
WO-2008055947-A1 NOVEL INHIBITORS OF GLUTAMINYL CYCLASE PROBIODRUG AG (DE) 2008-05-15 — — WO disclosed
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