SCHEMBL5338205

SCHEMBL5338205

CC(C)(C)NC(=O)c1ccc2nc(-c3ccc(Br)cc3)c(-c3ccc(Cl)cc3)n2c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.57
AKT1 P31749 11/20 0.46
AKT2 P31751 11/20 0.46
SLC2A1 P11166 2/20 0.44
GABRD O14764 1/20 0.44
GABRB1 P18505 1/20 0.44
GABRA4 P48169 1/20 0.44
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
MAPT P10636 1/20 0.43
KMT2A Q03164 1/20 0.43
TOP2A P11388 1/20 0.43
TUBB4A P04350 1/20 0.41
TUBB P07437 1/20 0.41
TUBA3C P0DPH7 1/20 0.41
TUBA1B P68363 1/20 0.41
TUBA4A P68366 1/20 0.41
TUBB4B P68371 1/20 0.41
TUBB3 Q13509 1/20 0.41
TUBB2A Q13885 1/20 0.41

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
SCHEMBL5347257 1.00 CNR1 (0.57) CNR1AKT1AKT2SLC2A1GABRD
SCHEMBL5320311 0.84 AKT1 (0.54) AKT1AKT2SLC2A1GABRDGABRB1
SCHEMBL5337980 0.83 CNR1 (0.53) CNR1AKT1AKT2SLC2A1MEN1
SCHEMBL5346688 0.80 SLC2A1 (0.59) AKT1AKT2SLC2A1ALDH1A1MAPT
SCHEMBL5341345 0.80 SLC2A1 (0.59) AKT1AKT2SLC2A1ALDH1A1MAPT
Hydrochloric Acid SCHEMBL5348937 0.80 CNR1 (0.56) CNR1AKT1AKT2SLC2A1
SCHEMBL5348158 0.78 AKT1 (0.60) AKT1AKT2
SCHEMBL5340752 0.77 CNR1 (0.53) CNR1AKT1AKT2SLC2A1TUBB4A
SCHEMBL5489046 0.75 AKT1 (0.46) AKT1AKT2GABRDGABRB1GABRA4
SCHEMBL5340340 0.73 SLC2A1 (0.64) AKT1AKT2SLC2A1ALDH1A1MAPT

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