SCHEMBL5283217

SCHEMBL5283217

O=C1c2ccc(Nc3ccc(F)cc3F)cc2CN1CCCO

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 20/20 0.57
MAPK13 O15264 1/20 0.46
HSPB1 P04792 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2B P41595 1/20 0.46
MAPK12 P53778 1/20 0.46
MAPK11 Q15759 1/20 0.46
TMEM97 Q5BJF2 1/20 0.46

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
SCHEMBL5280862 0.80 MAPK14 (0.55) MAPK14
SCHEMBL5280548 0.80 MAPK14 (0.56) MAPK14
SCHEMBL3048771 0.77 HDAC6 (0.50) MAPK14
SCHEMBL5284312 0.76 MAPK14 (0.57) MAPK14
SCHEMBL5282254 0.74 MAPK14 (0.58) MAPK14
SCHEMBL5284549 0.72 MAPK14 (0.58) MAPK14
SCHEMBL2318552 0.72 MAPK14 (1.00) MAPK14MAPK13HSPB1HTR2AHTR2B
SCHEMBL3053804 0.71 HDAC6 (0.49) MAPK14
SCHEMBL3058508 0.71 MAPK14 (0.56) MAPK14MAPK11
SCHEMBL20924128 0.71 PRF1 (0.46) HTR2AHTR2B

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
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO claimed
WO-2007000337-A1 BICYCLIC DERIVATIVES AS P38 KINASE INHIBITORS PALAU PHARMA, S.A. (ES) 2007-01-04 WO disclosed