SCHEMBL4735748

SCHEMBL4735748

CC(NC(=O)C(NC(=O)C(N)Cc1ccc(O)cc1)C(C)C)C(=O)NC(CC(=O)O)C(=O)O.O=CCF

nearest known ligand 0.61

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
OPRD1 P41143 8/20 0.61
BACE1 P56817 3/20 0.54
BACE2 Q9Y5Z0 2/20 0.54
CASP1 P29466 2/20 0.53
OPRM1 P35372 3/20 0.46
OPRK1 P41145 1/20 0.46

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
SCHEMBL29408005 0.93 OPRD1 (0.68) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL4735755 0.92 OPRD1 (0.65) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL29409609 0.88 OPRD1 (0.64) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL30079821 0.87 OPRD1 (0.58) OPRD1BACE1BACE2OPRM1OPRK1
SCHEMBL31404908 0.85 OPRD1 (0.66) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL30973962 0.85 OPRD1 (0.61) OPRD1BACE1BACE2CASP1
SCHEMBL31257068 0.84 OPRD1 (0.64) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL29359045 0.84 OPRD1 (0.61) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL29946109 0.84 CASP1 (0.61) OPRD1BACE1BACE2CASP1OPRM1
SCHEMBL9241543 0.82 CASP1 (0.67) OPRD1BACE1BACE2CASP1

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
WO-2008079408-A1 A ZEBRAFISH BASED SCREEN FOR AGENTS WITH ABILITY TO PREVENT CELL DEATH UNIVERSITY OF IOWA RESEARCH FOUNDATION (US) 2008-07-03 WO disclosed