SCHEMBL8347301

SCHEMBL8347301

CN(C)c1ccc(C(=O)NCC(=O)N2CC[C@@H]3[C@H]2C(=O)CN3C(=O)c2ccccc2)cc1

nearest known ligand 0.68

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ CTSK P43235 4/20 0.68
▸ PREP P48147 2/20 0.46
▸ DPP4 P27487 1/20 0.46
▸ FAP Q12884 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.44
▸ KDM4E B2RXH2 1/20 0.44
▸ GAA P10253 1/20 0.44
▸ DPP7 Q9UHL4 1/20 0.42
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ PRMT5 O14744 4/20 0.40
▸ WDR77 Q9BQA1 4/20 0.40
▸ NAMPT P43490 1/20 0.40
▸ CTSS P25774 1/20 0.40
▸ LMNA P02545 1/20 0.38
▸ TP53 P04637 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ HPGD P15428 2/20 0.38
▸ KMT2A Q03164 2/20 0.38
▸ NPC1 O15118 1/20 0.38

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
SCHEMBL13909135 0.91 CTSK (0.55) CTSKPREPDPP4FAPDPP7
SCHEMBL13909145 0.88 CTSK (0.54) CTSKPREPDPP4FAPDPP7
SCHEMBL6209809 0.86 CTSK (0.65) CTSKALDH1A1KDM4EGAASMN1; SMN2
SCHEMBL13909110 0.85 CTSK (0.56) CTSKPREPDPP4FAPALDH1A1
SCHEMBL13909152 0.84 CTSK (0.49) CTSKPREPDPP4FAPALDH1A1
SCHEMBL13909154 0.84 CTSK (0.50) CTSKPREPDPP4FAPALDH1A1
SCHEMBL8349856 0.84 CTSK (0.62) CTSKPREPDPP4FAPALDH1A1
SCHEMBL8349759 0.82 CTSK (0.53) CTSKPREPDPP4FAPALDH1A1
SCHEMBL13909222 0.82 PREP (0.56) CTSKPREPDPP4FAPDPP7
SCHEMBL4219737 0.81 CTSK (1.00) CTSKALDH1A1KDM4EGAACTSS

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-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 — — EP disclosed
WO-2004007501-A1 BIOLOGICALLY ACTIVE COMPOUNDS AMURA THERAPEUTICS LIMITED (GB) 2004-01-22 — — WO disclosed
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