SCHEMBL2825355

SCHEMBL2825355

CCCCN(C(N)=O)C(F)(F)F

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FAAH O00519 8/20 0.38
CA12 O43570 2/20 0.38
CA1 P00915 2/20 0.38
CA9 Q16790 2/20 0.38
CES1 P23141 6/20 0.36
CES2 O00748 5/20 0.36
MEN1 O00255 1/20 0.36
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MMP1 P03956 1/20 0.35
MMP2 P08253 1/20 0.35
MMP3 P08254 1/20 0.35
MMP8 P22894 1/20 0.35
EPHX1 P07099 1/20 0.33

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
SCHEMBL2824055 0.87 MLYCD (0.34) FAAHCA12CA1CA9CES1
SCHEMBL25331966 0.79 FAAH (0.38) FAAHCA12CA1CA9CES1
SCHEMBL967486 0.78 MLYCD (0.31)
SCHEMBL27477241 0.75 CA1 (0.36) FAAHCA12CA1CA9CES1
SCHEMBL27770403 0.74
Trifluoroacetic Acid SCHEMBL28018017 0.71 FAAH (0.38) FAAHCA12CA1CA9CES1
SCHEMBL55496 0.70 CA1 (0.56) CA12CA1CA9CES1CES2
SCHEMBL20285412 0.70 CA1 (0.44) FAAHCA12CA1CA9CES1
SCHEMBL42636 0.70 CA1 (0.56) CA12CA1CA9CES1CES2
SCHEMBL7578456 0.69 DNM1 (0.34) FAAHCA12CA1CA9CES1

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
EP-1758869-B1 PYRIDAZIN-3(2H)-ONE DERIVATIVES AND THEIR USE AS PDE4 INHIBITORS ALMIRALL SA (ES) 2010-12-22 EP disclosed
US-7511038-B2 Pyridazin-3(2H)-one derivatives and their use as PDE4 inhibitors LABORATORIOS ALMIRALL S.A. (ES) 2009-03-31 US disclosed
EP-1575926-B1 NEW PYRIDAZIN-3(2H)-ONE DERIVATIVES ALMIRALL LAB (ES) 2008-03-05 EP disclosed