SCHEMBL4638347

SCHEMBL4638347

CCS(=O)(=O)c1ccc(Oc2c[c]cc(Cl)c2)cc1C(F)(F)F

nearest known ligand 0.41

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AR P10275 4/20 0.41
CCR2 P41597 1/20 0.40
NR1H2 P55055 1/20 0.38
NR1H3 Q13133 1/20 0.38
HTR2A P28223 1/20 0.37
SLC6A4 P31645 1/20 0.37
KCNH2 Q12809 1/20 0.37
DDR1 Q08345 12/20 0.37
EPAS1 Q99814 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
SCHEMBL2065615 0.78 PTGDR2 (0.47) DDR1
SCHEMBL4877093 0.76 DDR1 (0.48) ARCCR2HTR2ASLC6A4KCNH2
SCHEMBL2394982 0.70 PTGDR2 (0.44) CCR2HTR2ASLC6A4KCNH2DDR1
SCHEMBL2395866 0.69 CCR2 (0.41) CCR2HTR2ASLC6A4KCNH2DDR1
SCHEMBL18184375 0.68 DDR1 (0.45) CCR2DDR1
SCHEMBL4637590 0.68 PTGDR2 (0.46) EPAS1
SCHEMBL4637463 0.68 AR (0.42) ARCCR2NR1H3HTR2ASLC6A4
SCHEMBL4639087 0.67 EPAS1 (0.44) HTR2ASLC6A4KCNH2EPAS1
SCHEMBL4194854 0.67 DDR1 (0.46) CCR2DDR1
SCHEMBL28354760 0.65 MAOA (0.50) ARHTR2ASLC6A4KCNH2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP claimed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO claimed
EP-1937632-A1 NOVEL COMPOUNDS Astra Zeneca AB (SE) 2008-07-02 EP disclosed
WO-2007039736-A1 NOVEL COMPOUNDS ASTRAZENECA AB (SE) 2007-04-12 WO disclosed