SCHEMBL6162408

SCHEMBL6162408

CN1CCCC(N2[N]C(=O)C(c3ccc(Cl)cc3)=C2c2ccncc2)C1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.38
MAPK11 Q15759 7/20 0.38
MAPK14 Q16539 7/20 0.38
MAPK13 O15264 4/20 0.38
MAPK12 P53778 4/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
ADRA1A P35348 3/20 0.37
HRH1 P35367 3/20 0.37
ADRA1B P35368 3/20 0.37
MALT1 Q9UDY8 1/20 0.35
LSS P48449 1/20 0.34
ADRA2A P08913 2/20 0.34
CHRM1 P11229 2/20 0.34
ADRA2B P18089 2/20 0.34
HTR2A P28223 2/20 0.34
DRD3 P35462 2/20 0.34
CHRM2 P08172 1/20 0.34
ABCB1 P08183 1/20 0.34
ADRB1 P08588 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL6160893 0.80 HTR6 (0.37) HTR6MAPK11MAPK14MAPK13MAPK12
SCHEMBL6160345 0.80 NR3C1 (0.37) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6159161 0.79 KCNH2 (0.38) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6163249 0.74 GCGR (0.40) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL6166497 0.73 MAPK11 (0.40) HTR6MAPK11MAPK14MAPK13MAPK12
SCHEMBL5216464 0.72 MAPK11 (0.43) HTR6MAPK11MAPK14MAPK13MAPK12
SCHEMBL6164467 0.67 RIPK3 (0.40) MAPK11MAPK14LSSCHRM1CHRM2
SCHEMBL6166494 0.66 MAPK11 (0.38) HTR6MAPK11MAPK14MAPK13MAPK12
SCHEMBL6162461 0.61 MAPK14 (0.47) MAPK11MAPK14MAPK13MAPK12LSS
SCHEMBL5459338 0.60 MAPK11 (0.53) MAPK11MAPK14MAPK13MAPK12MALT1

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
EP-1542680-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS Amgen Inc. (US) 2005-06-22 EP disclosed
WO-2004022055-A1 1, 4, 5-SUBSTITUTED 1, 2-DIHYDRO-PYRAZOL-3-ONE AND 3-ALKOXY-1H-PYRAZOLE DERIVATIVES S TNF-ALPHA AND INTERLEUKIN LOWERING AGENTS FOR THE TREATMENT OF INFLAMMATIONS AMGEN INC. (US) 2004-03-18 WO disclosed