SCHEMBL3950941

SCHEMBL3950941

C=CCN1CCC[C@@]1(C(=O)CNC(=O)OCc1ccccc1)C(=O)OC

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRK1 P41145 1/20 0.41
PREP P48147 2/20 0.41
ALDH1A1 P00352 1/20 0.41
PPIA P62937 1/20 0.41
TGM2 P21980 1/20 0.40
CTSL P07711 1/20 0.38
CTSB P07858 1/20 0.38
CTSS P25774 1/20 0.38
CTSK P43235 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
SCHEMBL3952210 0.92 ALDH1A1 (0.43) OPRK1PREPALDH1A1TGM2CTSL
SCHEMBL3950959 0.81 ALDH1A1 (0.46) OPRK1PREPALDH1A1CTSLCTSB
SCHEMBL4052066 0.78 ALDH1A1 (0.47) OPRK1PREPALDH1A1CTSLCTSB
SCHEMBL2084495 0.75 PREP (0.45) PREP
SCHEMBL1816147 0.72 PREP (0.49) OPRK1PREPALDH1A1
SCHEMBL17293555 0.72 PREP (0.49) OPRK1PREPALDH1A1
SCHEMBL2084198 0.70 PREP (0.48) PREP
SCHEMBL21225368 0.70 CYP2D6 (0.46) ALDH1A1
SCHEMBL2084143 0.69 PREP (0.47) PREPALDH1A1
SCHEMBL2084228 0.69 ALDH1A1 (0.44) OPRK1PREPALDH1A1CTSLCTSB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1888618-A4 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LTD (NZ) 2009-07-15 EP disclosed
EP-1888618-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE Neuren Pharmaceuticals Limited (NZ) 2008-02-20 EP disclosed
WO-2006127702-A2 ANALOGS OF GLYCYL-PROLYL-GLUTAMATE NEUREN PHARMACEUTICALS LIMITED (NZ) 2006-11-30 WO disclosed