SCHEMBL9538788

SCHEMBL9538788

O=C(O)CCCc1cn(C(=O)c2cccc(OCc3ccc(Cl)c(Cl)c3)c2)c2ccccc12

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
OXER1 Q8TDS5 1/20 0.44
MRGPRX4 Q96LA9 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
MCL1 Q07820 1/20 0.42
FFAR1 O14842 4/20 0.41
NR4A2 P43354 5/20 0.41
ALDH1A1 P00352 1/20 0.41
MAOB P27338 1/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
NAAA Q02083 1/20 0.39
ADRA1D P25100 1/20 0.39
NR4A1 P22736 1/20 0.39
NR4A3 Q92570 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
PPARA Q07869 1/20 0.39

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
SCHEMBL9369131 0.93 MRGPRX4 (0.53) OXER1MRGPRX4PTGDR2MCL1FFAR1
SCHEMBL9376615 0.85 MRGPRX4 (0.53) OXER1MRGPRX4FFAR1NR4A2ALDH1A1
SCHEMBL9538924 0.83 OXER1 (0.46) OXER1MRGPRX4MCL1FFAR1MAOB
SCHEMBL9369149 0.83 OXER1 (0.45) OXER1MRGPRX4MCL1FFAR1MAOB
SCHEMBL9370683 0.82 OXER1 (0.51) OXER1MCL1ALDH1A1ADRA1D
SCHEMBL9538300 0.81 FFAR1 (0.46) OXER1MRGPRX4FFAR1
SCHEMBL9369287 0.80 FFAR1 (0.45) OXER1MRGPRX4FFAR1
SCHEMBL9368697 0.79 OXER1 (0.56) OXER1MCL1ALDH1A1ADRA1D
SCHEMBL5444461 0.77 OXER1 (0.64) OXER1MCL1ALDH1A1ADRA1D
SCHEMBL9541818 0.77 MCL1 (0.42) MRGPRX4MCL1FFAR1NR4A2MAOB

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
WO-1993003012-A1 INDOLE DERIVATIVES FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1993-02-18 WO disclosed