SCHEMBL4965290

SCHEMBL4965290

CC(C)CCN(Cc1ccc2c(c1)CCc1cc(C(=O)O)ccc1O2)CC1CC1

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 1/20 0.39
MAPK14 Q16539 4/20 0.36
GRIN2D O15399 1/20 0.35
GRIN2A Q12879 1/20 0.35
GRIN2B Q13224 1/20 0.35
GRIN2C Q14957 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
ACHE P22303 2/20 0.35
DRD3 P35462 1/20 0.34
MEP1B Q16820 1/20 0.33
LPAR1 Q92633 2/20 0.33
LPAR5 Q9H1C0 2/20 0.33
LTA4H P09960 1/20 0.33
HDAC1 Q13547 2/20 0.33
HDAC6 Q9UBN7 1/20 0.33
CXCR3 P49682 1/20 0.33
NR1H4 Q96RI1 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC2 Q92769 1/20 0.33

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
SCHEMBL4966117 0.91 MAPK14 (0.36) TRPM8MAPK14DRD3HDAC1CXCR3
SCHEMBL4965081 0.87 OPRM1 (0.36) MAPK14DRD3HDAC1HDAC6CXCR3
SCHEMBL4965899 0.83 CXCR3 (0.33) DRD3CXCR3
SCHEMBL4968447 0.79 BCHE (0.35) ACHECXCR3
SCHEMBL14369641 0.75 OPRM1 (0.39) TRPM8ACHEDRD3
SCHEMBL14178521 0.73 TAS1R3 (0.39) HDAC1HDAC6
SCHEMBL14398038 0.72 CYP4F2 (0.32) CXCR3
Trifluoroacetic Acid SCHEMBL4967345 0.72 TRPM8 (0.37) TRPM8
SCHEMBL14398822 0.69 CXCR3 (0.32) CXCR3
SCHEMBL14369648 0.66 F2 (0.34) TRPM8MAPK14CXCR3

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
EP-1730140-B1 OPIOID RECEPTOR ANTAGONISTS LILLY CO ELI (US) 2008-06-25 EP claimed