SCHEMBL4770158

SCHEMBL4770158

CS(=O)(=O)c1ccc(Oc2cc(CC(=O)N3C[CH]C3)cc(C(F)(F)F)c2)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 2/20 0.45
CNR1 P21554 5/20 0.40
NR1I2 O75469 2/20 0.40
CACNA1B Q00975 2/20 0.40
SLC6A9 P48067 4/20 0.39
FFAR1 O14842 2/20 0.38
MRGPRX4 Q96LA9 1/20 0.38
S1PR2 O95136 2/20 0.38
KCNQ3 O43525 1/20 0.38
KCNQ2 O43526 1/20 0.38
EPAS1 Q99814 1/20 0.37
KCNH2 Q12809 1/20 0.37

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
SCHEMBL883824 0.85 PTGDR2 (0.55) PTGDR2FFAR1MRGPRX4KCNQ3KCNQ2
SCHEMBL12775547 0.84 PTGDR2 (0.49) PTGDR2FFAR1MRGPRX4KCNQ3KCNQ2
SCHEMBL585958 0.83 PTGDR2 (0.48) PTGDR2FFAR1MRGPRX4KCNQ3KCNQ2
SCHEMBL1651648 0.83 PTGDR2 (0.39) PTGDR2CNR1NR1I2CACNA1BSLC6A9
SCHEMBL585257 0.80 PTGDR2 (0.46) PTGDR2FFAR1MRGPRX4KCNQ3KCNQ2
SCHEMBL586021 0.79 PTGDR2 (0.44) PTGDR2SLC6A9FFAR1MRGPRX4S1PR2
SCHEMBL585990 0.78 PTGDR2 (0.44) PTGDR2FFAR1MRGPRX4KCNQ3KCNQ2
SCHEMBL585820 0.77 KCNQ3 (0.45) PTGDR2SLC6A9FFAR1MRGPRX4KCNQ3
SCHEMBL883843 0.77 PTGDR2 (0.56) PTGDR2FFAR1MRGPRX4
SCHEMBL4638046 0.76 PTGDR2 (0.47) PTGDR2SLC6A9FFAR1KCNQ3KCNQ2

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-1963259-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE AstraZeneca AB (SE) 2008-09-03 EP claimed
WO-2007068894-A2 SUBSTITUTED DIPHENYLETHERS, -AMINES, -SULFIDES AND -METHANES FOR THE TREATMENT OF RESPIRATORY DISEASE ASTRAZENECA AB (SE) 2007-06-21 WO claimed