SCHEMBL23905983

SCHEMBL23905983

Cc1c(O[C@H](c2ccc(C(N)O)cc2)c2cccc(F)c2)ccc2c1OCCC2=O

nearest known ligand 0.35

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.35
GRM5 P41594 1/20 0.35
MRGPRX4 Q96LA9 1/20 0.33
IDO1 P14902 1/20 0.33
TDO2 P48775 1/20 0.33
LTB4R Q15722 7/20 0.31
LTB4R2 Q9NPC1 7/20 0.31
HTR6 P50406 2/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL26159425 0.89 MRGPRX4 (0.36) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL23905901 0.89 MRGPRX4 (0.36) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL32675600 0.89 MRGPRX4 (0.36) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL23882890 0.89 MRGPRX4 (0.36) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL30251023 0.89 MRGPRX4 (0.36) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL26160500 0.86 GRM5 (0.40) MAOBGRM5MRGPRX4LTB4RLTB4R2
SCHEMBL26160495 0.86 GRM5 (0.40) MAOBGRM5MRGPRX4LTB4RLTB4R2
SCHEMBL23882670 0.86 MAOB (0.37) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL30251340 0.86 MAOB (0.37) MAOBGRM5MRGPRX4IDO1TDO2
SCHEMBL30250880 0.86 MAOB (0.37) MAOBGRM5MRGPRX4IDO1TDO2

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