SCHEMBL5576866

SCHEMBL5576866

CC(C)CC(NC(=O)C(NC(=O)C(Cc1ccccc1)NC(=O)C(N)Cc1ccccc1)C(C)C)C(=O)NC(CCCCN)C(=O)O

nearest known ligand 0.63

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ OPRK1 P41145 4/20 0.63
▸ BACE1 P56817 12/20 0.56
▸ BACE2 Q9Y5Z0 2/20 0.56
▸ CTSD P07339 1/20 0.56
▸ GNPAT O15228 1/20 0.53

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
SCHEMBL5576870 1.00 OPRK1 (0.63) OPRK1BACE1BACE2CTSDGNPAT
SCHEMBL30616045 0.98 OPRK1 (0.60) OPRK1BACE1BACE2CTSD
SCHEMBL30570972 0.98 OPRK1 (0.60) OPRK1BACE1BACE2CTSD
SCHEMBL29659768 0.96 OPRK1 (0.58) OPRK1BACE1BACE2CTSD
SCHEMBL30616041 0.96 OPRK1 (0.58) OPRK1BACE1BACE2CTSD
SCHEMBL30957134 0.94 OPRK1 (0.69) OPRK1GNPAT
SCHEMBL30957135 0.94 OPRK1 (0.69) OPRK1GNPAT
SCHEMBL30957126 0.94 OPRK1 (0.69) OPRK1GNPAT
SCHEMBL30957133 0.94 OPRK1 (0.69) OPRK1GNPAT
SCHEMBL30957125 0.94 OPRK1 (0.69) OPRK1GNPAT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070092508-A1 Detoxification depot for Alzheimer's disease RECOMBIANT TECHNOLOGIES, LLC (US) 2007-04-26 — — US disclosed
WO-2007047967-A2 DETOXIFICATION DEPOT FOR ALZHEIMER'S DISEASE SENICURE, LLC (US) 2007-04-26 — — WO disclosed
US-20060069010-A1 Detoxification depot for Alzheimer's disease SENICURE LLC (US) 2006-03-30 — — US disclosed
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