SCHEMBL23905919

SCHEMBL23905919

Cc1c(OCc2ccc(C#N)cc2)ccc2c1OCCC2=O

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 12/20 0.59
MAOA P21397 2/20 0.47
GRM5 P41594 6/20 0.46
MRGPRX4 Q96LA9 1/20 0.45
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
NFKB1 P19838 1/20 0.40
RAB9A P51151 1/20 0.40
NFKB2 Q00653 1/20 0.40
RELA Q04206 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
LTB4R Q15722 1/20 0.38
LTB4R2 Q9NPC1 1/20 0.38
ACHE P22303 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
SCHEMBL23905971 0.87 GRM5 (0.63) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL23905974 0.85 MAOB (0.57) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL23905906 0.85 MAOB (0.57) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL12316589 0.84 MRGPRX4 (0.57) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL23905175 0.82 MRGPRX4 (0.47) MAOBGRM5MRGPRX4NPC1ALDH1A1
SCHEMBL23906010 0.79 MRGPRX4 (0.49) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL12316573 0.78 LTB4R (0.47) MAOBGRM5MRGPRX4ALDH1A1LTB4R
SCHEMBL23905977 0.76 MAOB (0.61) MAOBMAOAGRM5MRGPRX4NPC1
SCHEMBL23882901 0.76 MAOB (0.39) MAOBGRM5MRGPRX4LTB4RLTB4R2
SCHEMBL30251356 0.76 MAOB (0.39) MAOBGRM5MRGPRX4LTB4RLTB4R2

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