SCHEMBL7203631

SCHEMBL7203631

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

nearest known ligand 0.45

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 12/20 0.45
▸ CASP1 P29466 2/20 0.42
▸ OPRM1 P35372 5/20 0.40
▸ BACE1 P56817 2/20 0.38
▸ BACE2 Q9Y5Z0 2/20 0.38
▸ OPRK1 P41145 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
SCHEMBL5687048 0.87 OPRD1 (0.48) OPRD1CASP1OPRM1BACE1BACE2
SCHEMBL5686700 0.85 OPRD1 (0.50) OPRD1CASP1OPRM1BACE1BACE2
SCHEMBL5687724 0.83 OPRD1 (0.48) OPRD1CASP1OPRM1BACE1BACE2
SCHEMBL5686935 0.82 OPRD1 (0.41) OPRD1CASP1OPRM1BACE1OPRK1
SCHEMBL5688620 0.79 OPRD1 (0.43) OPRD1CASP1OPRM1OPRK1
SCHEMBL5686852 0.79 OPRD1 (0.43) OPRD1CASP1OPRM1OPRK1
SCHEMBL5686954 0.78 CTSD (0.44) OPRD1OPRM1BACE1BACE2OPRK1
SCHEMBL5686895 0.76 CTSD (0.42) OPRD1CASP1OPRM1OPRK1
SCHEMBL5689507 0.75 OPRD1 (0.49) OPRD1CASP1BACE1BACE2
SCHEMBL29946109 0.74 CASP1 (0.61) OPRD1CASP1OPRM1BACE1BACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6593300-B1 Inhibitors of the interleukin-1 beta converting enzyme GYOGYSZERKUTATO INTEZET KFT. (HU) 2003-07-15 — — US disclosed
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