SCHEMBL5686933

SCHEMBL5686933

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

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 14/20 0.41
▸ OPRM1 P35372 6/20 0.40
▸ OPRK1 P41145 1/20 0.40
▸ CCKAR P32238 3/20 0.39
▸ CCKBR P32239 3/20 0.39
▸ FNTA P49354 1/20 0.37
▸ FNTB P49356 1/20 0.37
▸ PGGT1B P53609 1/20 0.37

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
SCHEMBL5689707 0.88 NPY4R (0.44) OPRD1OPRM1OPRK1
SCHEMBL5686700 0.85 OPRD1 (0.50) OPRD1OPRM1OPRK1
SCHEMBL5686852 0.82 OPRD1 (0.43) OPRD1OPRM1OPRK1
SCHEMBL5688620 0.82 OPRD1 (0.43) OPRD1OPRM1OPRK1
SCHEMBL31380448 0.79 ENPEP (0.52) FNTAFNTBPGGT1B
SCHEMBL5687724 0.79 OPRD1 (0.48) OPRD1OPRM1OPRK1
SCHEMBL29892843 0.78 ENPEP (0.52) OPRD1FNTAFNTBPGGT1B
SCHEMBL5689507 0.78 OPRD1 (0.49) OPRD1
SCHEMBL29794105 0.78 OPRD1 (0.59) OPRD1OPRM1OPRK1CCKARCCKBR
SCHEMBL5686954 0.77 CTSD (0.44) OPRD1OPRM1OPRK1FNTAFNTB

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-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
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