SCHEMBL7666802

SCHEMBL7666802

Cc1ccc(Oc2ccc(F)cc2F)c(Cl)n1

nearest known ligand 0.46

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 13/20 0.44
NPBWR1 P48145 1/20 0.41
MCHR1 Q99705 1/20 0.41
S1PR4 O95977 1/20 0.41
MAPK14 Q16539 1/20 0.41
KMT2A Q03164 1/20 0.40
SLC6A2 P23975 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
HSPB1 P04792 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
SCHEMBL7659916 0.81 TRPA1 (0.47) TRPA1NPBWR1MCHR1MAPK14SLC6A2
SCHEMBL21652789 0.81 TRPA1 (0.44) TRPA1S1PR4MAPK14HSPB1
SCHEMBL7667111 0.80 HTR2A (0.43) TRPA1S1PR4KMT2ASLC6A4KCNH2
SCHEMBL16650398 0.77 TRPA1 (0.42) TRPA1MAPK14HSPB1
SCHEMBL10456772 0.76 TRPA1 (0.56) TRPA1HSPB1
SCHEMBL19931198 0.75 TRPA1 (0.40) TRPA1NPBWR1MCHR1MAPK14HSPB1
SCHEMBL7663772 0.73 S1PR4 (0.56) S1PR4SLC6A2SLC6A4
SCHEMBL7664278 0.72 CYP1A2 (0.46) KMT2A
SCHEMBL25226268 0.72 MAPK8 (0.45) TRPA1NPBWR1MCHR1MAPK14
SCHEMBL29536952 0.72 MAPK8 (0.45) TRPA1NPBWR1MCHR1MAPK14

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