SCHEMBL5686804

SCHEMBL5686804

COC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc1ccc(O)cc1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 11/20 0.54
CTSD P07339 1/20 0.50
OPRM1 P35372 4/20 0.49
ERAP2 Q6P179 2/20 0.49
OPRK1 P41145 1/20 0.49
CASP1 P29466 1/20 0.47
LNPEP Q9UIQ6 1/20 0.47

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
SCHEMBL5687066 0.90 CTSD (0.55) OPRD1CTSDOPRM1ERAP2OPRK1
SCHEMBL5687168 0.90 CTSD (0.55) OPRD1CTSDOPRM1ERAP2OPRK1
SCHEMBL29944413 0.89 CTSD (0.61) OPRD1CTSDOPRM1OPRK1
SCHEMBL29732072 0.89 CTSD (0.61) OPRD1CTSDOPRM1OPRK1
SCHEMBL22644029 0.88 OPRD1 (0.55) OPRD1OPRM1OPRK1CASP1
SCHEMBL5689768 0.86 CASP1 (0.59) OPRD1CTSDCASP1
SCHEMBL31276527 0.85 SLC7A5 (0.56) OPRD1OPRM1ERAP2OPRK1LNPEP
SCHEMBL9513983 0.84 SLC7A5 (0.51) OPRD1OPRM1OPRK1
SCHEMBL9419218 0.84 SLC7A5 (0.51) OPRD1OPRM1OPRK1
SCHEMBL31265324 0.82 OPRD1 (0.56) OPRD1OPRM1OPRK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0979241-B1 (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA IVAX DRUG RES INST LTD (HU) 2006-03-01 EP disclosed
US-6593300-B1 Inhibitors of the interleukin-1 beta converting enzyme GYOGYSZERKUTATO INTEZET KFT. (HU) 2003-07-15 US disclosed
EP-0979241-A1 (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA GYOGYSZERKUTATO INTEZET KFT. (HU) 2000-02-16 EP disclosed
WO-1998049189-A1 (3R)-3-AMINO-4-CARBOXYBUTYRALDEHYDE DERIVATIVES INHIBITING THE RELEASE OF INTERLEUKIN-1/BETA Gyógyszerkutató Intézet Kft. (HU) 1998-11-05 WO disclosed