SCHEMBL2489689

SCHEMBL2489689

O=C(Nc1cccc(-c2ccc(F)cc2)n1)c1ccc(Oc2cc3c(cc2Cl)CCCO3)cc1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 5/20 0.62
SCN9A Q15858 13/20 0.45
ADORA3 P0DMS8 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
RAB9A P51151 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43

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
SCHEMBL2489821 0.94 PTGDR2 (0.69) PTGDR2ADORA3NPC1RAB9A
SCHEMBL2490747 0.89 PTGDR2 (0.61) PTGDR2ADORA3
SCHEMBL2492492 0.88 PTGDR2 (0.48) PTGDR2NPC1ALDH1A1RAB9ASMN1; SMN2
SCHEMBL2492651 0.87 PTGDR2 (0.56) PTGDR2ADORA3NPC1RAB9A
SCHEMBL2487972 0.84 PTGDR2 (0.51) PTGDR2NPC1RAB9A
SCHEMBL2492752 0.84 PTGDR2 (0.56) PTGDR2
SCHEMBL2132296 0.83 PTGDR2 (0.90) PTGDR2
SCHEMBL2487269 0.83 PTGDR2 (0.51) PTGDR2NPC1RAB9ASMN1; SMN2
SCHEMBL2490235 0.82 PTGDR2 (0.53) PTGDR2
SCHEMBL17818044 0.82 PTGDR2 (0.72) PTGDR2

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