SCHEMBL5607932

SCHEMBL5607932

CCOC(=O)c1nn(CC)c(=O)c(Nc2cncc3ccccc23)c1C(C)=O.CCn1nc(C(=O)OC(C)C)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OC2CCC2)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OC2CCc3ccccc32)cc(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OCc2ccccc2)c(C(C)=O)c(Nc2cccnc2)c1=O.CCn1nc(C(=O)OCc2ccccc2)c(C(C)=O)c(Nc2cncc3ccccc23)c1=O

nearest known ligand 0.30

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.30

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
SCHEMBL5608178 0.82 PDE4B (0.35) TRPV1
SCHEMBL1997127 0.75 GAA (0.39) TRPV1
SCHEMBL1995589 0.74 MAPK1 (0.41)
SCHEMBL5608071 0.74 TRPV1 (0.41) TRPV1
SCHEMBL1995355 0.73 PDE4B (0.41) TRPV1
SCHEMBL1997021 0.73 MAPK1 (0.41)
SCHEMBL1997221 0.72 PDE4B (0.42)
SCHEMBL1997288 0.71 PDE4B (0.46)
SCHEMBL5607919 0.71 BRAF (0.37)
SCHEMBL2001626 0.71 TRPV1 (0.39) TRPV1

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-1758869-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS Almirall Prodesfarma, S.A. (ES) 2007-03-07 EP disclosed
WO-2005123692-A1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS LABORATORIOS ALMIRALL, S.A. (ES) 2005-12-29 WO disclosed