Sugi Predict

Sugi Predict / Compounds / SCHEMBL6570634

SCHEMBL6570634

SCHEMBL6570634

Cc1c(NC(=O)[C@H](CC(=O)O)NC(=O)[C@H](C)NC(=O)[C@@H](NC(=O)[C@@H](N)Cc2ccc(O)cc2)C(C)C)c(=O)oc2ccccc12

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ OPRD1 P41143 9/20 0.57
▸ BACE1 P56817 4/20 0.46
▸ BACE2 Q9Y5Z0 3/20 0.46
▸ CASP1 P29466 1/20 0.43
▸ OPRM1 P35372 4/20 0.42
▸ OPRK1 P41145 1/20 0.42

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
SCHEMBL77937 0.92 OPRD1 (0.51) OPRD1BACE1BACE2CASP1
SCHEMBL6569052 0.83 BACE1 (0.46) BACE1BACE2CASP1
SCHEMBL4264976 0.80 OPRD1 (0.55) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL78393 0.80 CASP3 (0.42) BACE1BACE2CASP1
SCHEMBL7504587 0.79 OPRD1 (0.55) OPRD1BACE1BACE2CASP1
SCHEMBL29408005 0.78 OPRD1 (0.68) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL2157759 0.78 OPRD1 (0.52) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL31404908 0.77 OPRD1 (0.66) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL29972996 0.76 OPRD1 (0.75) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL4735755 0.76 OPRD1 (0.65) OPRD1BACE1BACE2CASP1OPRM1

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-1406866-A1 INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES Idun Pharmaceuticals, Inc. (US) 2004-04-14 — — EP disclosed
WO-2003008374-A1 INHIBITORS OF THE ICE/CED-3 FAMILY OF CYSTEINE PROTEASES IDUN PHARMACEUTICALS, INC. (US) 2003-01-30 — — WO disclosed
Send feedback