SCHEMBL16975855

SCHEMBL16975855

CCC(=O)C(C)(C)N(C)C

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 3/20 0.35
DRD3 P35462 2/20 0.35
DRD2 P14416 1/20 0.35
TDP1 Q9NUW8 2/20 0.35
FFAR3 O14843 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GRIN2D O15399 2/20 0.32
GRIN1 Q05586 2/20 0.32
GRIN2A Q12879 2/20 0.32
GRIN2B Q13224 2/20 0.32
GRIN2C Q14957 2/20 0.32
CACNA1F O60840 1/20 0.32
ABCB1 P08183 1/20 0.32
CYP2B6 P20813 1/20 0.32
DRD4 P21917 1/20 0.32
OPRD1 P41143 1/20 0.32
OPRK1 P41145 1/20 0.32
CACNA1D Q01668 1/20 0.32
KCNH2 Q12809 1/20 0.32
CACNA1S Q13698 1/20 0.32

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
SCHEMBL10242777 0.76 OPRM1 (0.32) OPRM1DRD3DRD2TDP1FFAR3
SCHEMBL15125232 0.76 FAAH (0.34) OPRM1DRD3DRD2FAAHCES1
SCHEMBL16568518 0.74 OPRM1 (0.35) OPRM1DRD3DRD2FFAR3ALDH1A1
SCHEMBL121296 0.71
SCHEMBL2545646 0.71 ALDH1A1 (0.41) OPRM1DRD3DRD2TDP1FFAR3
SCHEMBL16772861 0.71 ALDH1A1 (0.41) OPRM1DRD3DRD2TDP1FFAR3
SCHEMBL10869723 0.70 OPRM1 (0.36) OPRM1DRD3DRD2TDP1FFAR3
SCHEMBL8027762 0.69
SCHEMBL16821964 0.69
SCHEMBL10116483 0.69

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
US-9096645-B2 Dipeptide analogs for treating conditions associated with amyloid fibril formation RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2015-08-04 US disclosed
US-9096645-B2 Dipeptide analogs for treating conditions associated with amyloid fibril formation RAMOT AT TEL-AVIV UNIVERSITY LTD. (IL) 2015-08-04 US disclosed