SCHEMBL2489822

SCHEMBL2489822

O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.43

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.43
KCNQ3 O43525 4/20 0.41
KCNQ2 O43526 4/20 0.41
KCNE1 P15382 4/20 0.41
KCNQ1 P51787 4/20 0.41
SCN8A Q9UQD0 3/20 0.41
SCN10A Q9Y5Y9 3/20 0.41
TRPV1 Q8NER1 1/20 0.40
EPHX2 P34913 1/20 0.40

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
SCHEMBL2491650 0.88 PTGDR2 (0.54) PTGDR2
SCHEMBL2492872 0.84 PTGDR2 (0.50) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2489660 0.83 KCNQ3 (0.44) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2487972 0.83 PTGDR2 (0.51) PTGDR2
SCHEMBL2132020 0.82 PTGDR2 (0.66) PTGDR2
SCHEMBL2489639 0.82 PTGDR2 (0.45) PTGDR2KCNQ3KCNQ2KCNE1KCNQ1
SCHEMBL2493195 0.81 PTGDR2 (0.45) PTGDR2
SCHEMBL17818033 0.81 PTGDR2 (0.52) PTGDR2
SCHEMBL1569811 0.78 PTGDR2 (0.69) PTGDR2
SCHEMBL2489044 0.78 PTGDR2 (0.49) PTGDR2SCN10A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2379535-A1 7-PHENOXYCHROMAN CARBOXYLIC ACID DERIVATIVES Array Biopharma Inc. (US) 2011-10-26 EP disclosed