SCHEMBL23905188

SCHEMBL23905188

Cc1c(OCc2cccc(C#N)c2)c(F)cc2c1OCCC2=O

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 7/20 0.57
MAOB P27338 9/20 0.47
MAOA P21397 2/20 0.47
HTR6 P50406 2/20 0.40
ALOX5AP P20292 2/20 0.40
FEN1 P39748 2/20 0.40
PDCD1 Q15116 1/20 0.38
CD274 Q9NZQ7 1/20 0.38
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 1/20 0.38
HPGD P15428 1/20 0.38
NFKB1 P19838 1/20 0.38
RAB9A P51151 1/20 0.38
NFKB2 Q00653 1/20 0.38
RELA Q04206 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
FFAR1 O14842 1/20 0.37
FFAR4 Q5NUL3 1/20 0.37
MRGPRX4 Q96LA9 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 0.83 GRM5 (0.63) GRM5MAOBMAOAHTR6PDCD1
SCHEMBL23905954 0.82 MAOB (0.43) GRM5MAOBMAOANPC1ALDH1A1
SCHEMBL26160497 0.80 GRM5 (0.49) GRM5MAOBMAOAPDCD1CD274
SCHEMBL23905966 0.79 MAOB (0.42) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905994 0.78 MAOB (0.38) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23906118 0.78 MAOB (0.43) GRM5MAOBNPC1ALDH1A1HPGD
SCHEMBL23905187 0.75 GRM5 (0.36) GRM5
SCHEMBL23882893 0.75 GRM5 (0.36) GRM5
SCHEMBL30250991 0.75 GRM5 (0.36) GRM5
SCHEMBL30251115 0.75 GRM5 (0.36) GRM5

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