SCHEMBL5608071

SCHEMBL5608071

CCn1nc(C(=O)OC2CCc3ccccc32)cc(Nc2cncc3ccccc23)c1=O.CCn1nc(C(=O)OC2CCc3ccccc32)cc(Nc2cnccc2C)c1=O

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 18/20 0.41
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
STING1 Q86WV6 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
SCHEMBL1997127 0.94 GAA (0.39) TRPV1GAAMAPK1STING1
SCHEMBL1996126 0.93 KDM4C (0.36) TRPV1GAAMAPK1STING1
SCHEMBL5607367 0.80 DHODH (0.40) TRPV1
SCHEMBL5607666 0.80 DHODH (0.37) TRPV1
SCHEMBL5607679 0.79 PDE4B (0.36) TRPV1
SCHEMBL5607826 0.79 TRPV1 (0.47) TRPV1
SCHEMBL1997921 0.78 CDC25B (0.44) MAPK1
SCHEMBL5607985 0.77 TRPV1 (0.37) TRPV1
SCHEMBL1994571 0.75 ADORA3 (0.40)
SCHEMBL1994786 0.74 PDE4A (0.40) GAA

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