SCHEMBL23905926

SCHEMBL23905926

Cc1c(OCc2ccc(Cl)cn2)ccc2c1OCCC2=O

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.42
GRM5 P41594 4/20 0.41
MAOB P27338 4/20 0.40
LTB4R Q15722 8/20 0.39
LTB4R2 Q9NPC1 8/20 0.39
LMNA P02545 1/20 0.35
MAPT P10636 1/20 0.35
MCHR1 Q99705 1/20 0.34

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
SCHEMBL23905974 0.84 MAOB (0.57) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL23905175 0.77 MRGPRX4 (0.47) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL12316573 0.77 LTB4R (0.47) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL12316589 0.76 MRGPRX4 (0.57) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL23906010 0.76 MRGPRX4 (0.49) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL9465539 0.75 LMNA (0.54) MRGPRX4GRM5MAOBLTB4RLTB4R2
SCHEMBL20554848 0.75 MAOB (0.45) GRM5MAOBLTB4RLTB4R2LMNA
SCHEMBL30132607 0.75 MAOB (0.45) GRM5MAOBLTB4RLTB4R2LMNA
SCHEMBL23905906 0.74 MAOB (0.57) MRGPRX4GRM5MAOB
SCHEMBL23905919 0.72 MAOB (0.59) MRGPRX4GRM5MAOBLTB4RLTB4R2

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