SCHEMBL4788932

SCHEMBL4788932

CCn1c(=O)n(-c2ccccc2)c2nc(-c3ccc(-c4ccc(N)cn4)cc3)n(-c3ccc(Cl)cc3)c(=O)c21

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
USP2 O75604 4/20 0.40
CYP1A2 P05177 4/20 0.40
CASP1 P29466 4/20 0.40
CASP7 P55210 4/20 0.40
HSD17B10 Q99714 4/20 0.40
KMT2A Q03164 3/20 0.40
HIF1A Q16665 3/20 0.40
MEN1 O00255 2/20 0.40
HPGD P15428 2/20 0.40
BRCA1 P38398 1/20 0.40
HBB P68871 1/20 0.40
TP53 P04637 3/20 0.39
GRM5 P41594 1/20 0.39
GRM1 Q13255 1/20 0.39
NPC1 O15118 1/20 0.38
ALDH1A1 P00352 4/20 0.38
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.38
CYP2D6 P10635 1/20 0.38

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
SCHEMBL4789078 0.86 MAPT (0.44) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4786757 0.83 MAPT (0.44) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4786029 0.83 MAPT (0.52) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4789195 0.82 MAPT (0.42) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL14021050 0.82 MAPT (0.45) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4789280 0.81 MAPT (0.41) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4788238 0.81 ALDH1A1 (0.44) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4788865 0.80 MAPT (0.43) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4789301 0.78 PTGS2 (0.43) MAPTUSP2CYP1A2CASP1CASP7
SCHEMBL4786879 0.78 MAPT (0.41) MAPTUSP2CYP1A2CASP1CASP7

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO claimed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed
WO-2008134300-A1 COMPOUNDS AND COMPOSITIONS AS INHIBITORS OF CANNABINOID RECEPTOR 1 ACTIVITY IRM LLC (BM) 2008-11-06 WO disclosed