SCHEMBL5337544

SCHEMBL5337544

CN(C)C(=O)c1cc(I)c2nc(-c3ccc(Cl)cc3)c(-c3ccc(Cl)cc3)n2c1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 4/20 0.42
AKT2 P31751 4/20 0.42
PTGS2 P35354 1/20 0.40
TSPO P30536 2/20 0.39
GMNN O75496 1/20 0.39
LMNA P02545 1/20 0.39
POLB P06746 1/20 0.39
CYP3A4 P08684 1/20 0.39
BLM P54132 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
MALT1 Q9UDY8 1/20 0.39
CNR1 P21554 2/20 0.38
GRIA1 P42261 1/20 0.38
NR1I3 Q14994 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
SCHEMBL5342211 0.88 SLC2A1 (0.47) TSPOGMNNLMNAPOLBCYP3A4
SCHEMBL5318498 0.86 AKT1 (0.48) AKT1AKT2PTGS2TSPOGMNN
SCHEMBL5489046 0.76 AKT1 (0.46) AKT1AKT2
SCHEMBL5338039 0.73 AKT1 (0.45) AKT1AKT2TSPOGMNNLMNA
SCHEMBL5343284 0.72 AKT1 (0.53) AKT1AKT2PTGS2
SCHEMBL5341021 0.72 AKT1 (0.49) AKT1AKT2TSPOGMNNLMNA
SCHEMBL5343498 0.71 FYN (0.46) AKT1AKT2PTGS2CYP3A4
SCHEMBL5322122 0.71 CNR1 (0.41) AKT1AKT2PTGS2MALT1CNR1
SCHEMBL5335061 0.71 AKT1 (0.42) AKT1AKT2PTGS2TSPOGMNN
SCHEMBL5341752 0.70 AKT1 (0.53) AKT1AKT2TSPOGMNNLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO claimed
WO-2007086080-A2 NOVEL IMIDAZO[1,2-a]PYRIDINE CANNABINOID RECEPTOR LIGANDS AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM GLENMARK PHARMACEUTICALS LIMITED (IN) 2007-08-02 WO disclosed