SCHEMBL23905971

SCHEMBL23905971

Cc1c(OCc2cccc(C#N)c2)ccc2c1OCCC2=O

nearest known ligand 0.63

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.63
MRGPRX4 Q96LA9 4/20 0.54
MAOB P27338 8/20 0.52
MAOA P21397 1/20 0.52
HTR6 P50406 2/20 0.48
NPC1 O15118 1/20 0.42
ALDH1A1 P00352 1/20 0.42
HPGD P15428 1/20 0.42
NFKB1 P19838 1/20 0.42
RAB9A P51151 1/20 0.42
NFKB2 Q00653 1/20 0.42
RELA Q04206 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
SLC6A4 P31645 2/20 0.41
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41

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
SCHEMBL23905919 0.87 MAOB (0.59) GRM5MRGPRX4MAOBMAOANPC1
SCHEMBL23905955 0.87 GRM5 (0.60) GRM5MRGPRX4MAOBMAOAHTR6
SCHEMBL23905977 0.84 MAOB (0.61) GRM5MRGPRX4MAOBMAOAHTR6
SCHEMBL12316589 0.83 MRGPRX4 (0.57) GRM5MRGPRX4MAOBMAOANPC1
SCHEMBL23905188 0.83 GRM5 (0.57) GRM5MRGPRX4MAOBMAOAHTR6
SCHEMBL23906010 0.78 MRGPRX4 (0.49) GRM5MRGPRX4MAOBMAOANPC1
SCHEMBL23905974 0.77 MAOB (0.57) GRM5MRGPRX4MAOBMAOANPC1
SCHEMBL23905906 0.77 MAOB (0.57) GRM5MRGPRX4MAOBMAOANPC1
SCHEMBL23905175 0.77 MRGPRX4 (0.47) GRM5MRGPRX4MAOBNPC1ALDH1A1
SCHEMBL30251286 0.76 GRM5 (0.41) GRM5MRGPRX4MAOBMAOANPC1

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-2021198283-A1 INHIBITORS OF ANTIGEN PRESENTATION BY HLA-DR JANSSEN PHARMACEUTICA NV (BE) 2021-10-07 WO disclosed