SCHEMBL5451404

SCHEMBL5451404

CCOC(=O)c1cccn2c(-c3ccc(Cl)cc3Cl)c(-c3ccc(Cl)cc3)nc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.54
AKT2 P31751 1/20 0.54
DPP4 P27487 1/20 0.46
DPP8 Q6V1X1 1/20 0.46
DPP9 Q86TI2 1/20 0.46
MAPT P10636 2/20 0.45
NPC1 O15118 2/20 0.45
POLB P06746 2/20 0.45
RAB9A P51151 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GABRA2 P47869 2/20 0.45
GABRB2 P47870 2/20 0.45
TSHR P16473 1/20 0.45
CYP1A2 P05177 2/20 0.44
CYP2C9 P11712 2/20 0.44
CYP2C19 P33261 2/20 0.44
MEN1 O00255 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44

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
SCHEMBL5452695 0.92 AKT1 (0.54) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5348576 0.89 AKT1 (0.65) AKT1AKT2NPC1POLBRAB9A
SCHEMBL5340819 0.86 AKT1 (0.46) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5440820 0.84 CNR1 (0.43) AKT1AKT2NPC1RAB9ASMN1; SMN2
SCHEMBL4080087 0.77 CNR1 (0.59) DPP4DPP8DPP9MAPTNPC1
SCHEMBL4080145 0.76 CNR1 (0.52) DPP4DPP8DPP9MAPTNPC1
SCHEMBL4515129 0.75 HSD17B10 (0.58) DPP4DPP8DPP9MAPTNPC1
SCHEMBL5341021 0.75 AKT1 (0.49) AKT1AKT2DPP4DPP8DPP9
SCHEMBL5338476 0.74 GABRA2 (0.48) AKT1AKT2MAPTNPC1POLB
SCHEMBL5343717 0.74 GABRA2 (0.48) AKT1AKT2NPC1POLBRAB9A

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-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