SCHEMBL7659916

SCHEMBL7659916

COc1ccc(Oc2ccc(F)cc2F)c(Cl)n1

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 9/20 0.47
MAP4K4 O95819 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.41
HSPB1 P04792 1/20 0.41
SCN9A Q15858 2/20 0.40
NPBWR1 P48145 1/20 0.40
MCHR1 Q99705 1/20 0.40
MAPK8 P45983 1/20 0.40
MAPK14 Q16539 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
KCNH2 Q12809 1/20 0.39

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
SCHEMBL7668891 0.81 HTR2A (0.41) TRPA1L3MBTL1SCN9ANPBWR1SLC6A4
SCHEMBL7666802 0.81 TRPA1 (0.44) TRPA1HSPB1NPBWR1MCHR1MAPK14
SCHEMBL7674060 0.75 S1PR4 (0.50) SLC6A2SLC6A4KCNH2
SCHEMBL10456772 0.74 TRPA1 (0.56) TRPA1MAP4K4HSPB1
SCHEMBL7668470 0.73 KEAP1 (0.46) L3MBTL1
SCHEMBL7666314 0.72 L3MBTL1 (0.49) MAP4K4L3MBTL1
SCHEMBL12825878 0.72 TRPA1 (0.56) TRPA1MAP4K4L3MBTL1HSPB1
SCHEMBL7665088 0.72 NPSR1 (0.40) MCHR1SLC6A2SLC6A4KCNH2
SCHEMBL16650398 0.71 TRPA1 (0.42) TRPA1L3MBTL1HSPB1MAPK14
SCHEMBL7666779 0.71 HTR2A (0.44) L3MBTL1SLC6A4KCNH2

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-6458813-B1 2-CYCLOHEXYLOXY-5-(2-CHLOROPHENYLCARBONYLAMINO)PYRIDINE, FOR EXAMPLE; TREATING INFLAMMATION, PAIN, DIABETES, CANCER AMGEN INC. 2002-10-01 US disclosed
US-6333341-B1 TUMOR NECROSIS FACTOR, ANTIINFLAMMATORY AGENTS AND ANALGESICS AMGEN INC. 2001-12-25 US disclosed
US-6184237-B1 Substituted pyridine compounds and methods of use AMGEN INC. 2001-02-06 US disclosed