SCHEMBL23905977

SCHEMBL23905977

Cc1c(OCc2cccc(F)c2)ccc2c1OCCC2=O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 11/20 0.61
GRM5 P41594 8/20 0.61
MRGPRX4 Q96LA9 1/20 0.57
MAOA P21397 1/20 0.49
HTR6 P50406 2/20 0.45
ALDH1A1 P00352 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
NFKB1 P19838 1/20 0.44
RAB9A P51151 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
ACHE P22303 1/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42
LMNA P02545 1/20 0.42
PABPC1 P11940 1/20 0.42
CYP1A2 P05177 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
SCHEMBL23905906 0.86 MAOB (0.57) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL12316589 0.86 MRGPRX4 (0.57) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL23905971 0.84 GRM5 (0.63) MAOBGRM5MRGPRX4MAOAHTR6
SCHEMBL23906010 0.81 MRGPRX4 (0.49) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL23905175 0.79 MRGPRX4 (0.47) MAOBGRM5MRGPRX4ALDH1A1SMN1; SMN2
SCHEMBL23905974 0.79 MAOB (0.57) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL12316573 0.77 LTB4R (0.47) MAOBGRM5MRGPRX4ALDH1A1MEN1
SCHEMBL23905919 0.76 MAOB (0.59) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL20554658 0.76 MAOB (0.55) MAOBGRM5MRGPRX4MAOAALDH1A1
SCHEMBL30132594 0.76 MAOB (0.55) MAOBGRM5MRGPRX4MAOAALDH1A1

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