SCHEMBL23905175

SCHEMBL23905175

Cc1c(OCc2ccncc2)ccc2c1OCCC2=O

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
MAOB P27338 10/20 0.46
PRKDC P78527 1/20 0.44
GRM5 P41594 8/20 0.44
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
LTB4R Q15722 3/20 0.40
LTB4R2 Q9NPC1 3/20 0.40

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
SCHEMBL12316589 0.88 MRGPRX4 (0.57) MRGPRX4MAOBGRM5NPC1ALDH1A1
SCHEMBL23905999 0.86 GRM5 (0.42) MAOBPRKDCGRM5NPC1ALDH1A1
SCHEMBL23905984 0.86 LTB4R (0.47) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905906 0.85 MAOB (0.57) MRGPRX4MAOBGRM5NPC1ALDH1A1
SCHEMBL23905974 0.85 MAOB (0.57) MRGPRX4MAOBGRM5NPC1ALDH1A1
SCHEMBL23906313 0.85 MAOB (0.46) MAOBPRKDCGRM5NPC1ALDH1A1
SCHEMBL23905943 0.85 GRM5 (0.41) MRGPRX4MAOBPRKDCGRM5NPC1
SCHEMBL23906010 0.84 MRGPRX4 (0.49) MRGPRX4MAOBGRM5NPC1ALDH1A1
SCHEMBL23905925 0.84 LTB4R (0.59) MAOBGRM5NPC1ALDH1A1HPGD
SCHEMBL23905919 0.82 MAOB (0.59) MRGPRX4MAOBGRM5NPC1ALDH1A1

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