SCHEMBL5336859

SCHEMBL5336859

CC(C)(C)NC(=O)c1cc(Br)c2nc(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)n2c1

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 10/20 0.46
AKT1 P31749 4/20 0.41
AKT2 P31751 3/20 0.41
DGAT2 Q96PD7 1/20 0.41
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
CNR2 P34972 3/20 0.39
TRPA1 O75762 1/20 0.39
NPC1 O15118 1/20 0.38
HPGD P15428 1/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 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
SCHEMBL5343515 0.93 CNR1 (0.48) CNR1AKT1AKT2DGAT2ALDH1A1
Hydrochloric Acid SCHEMBL5348937 0.88 CNR1 (0.56) CNR1AKT1AKT2TRPA1
SCHEMBL5317129 0.85 AKT1 (0.48) CNR1AKT1AKT2NPC1RAB9A
SCHEMBL5340780 0.81 AKT1 (0.59) AKT1AKT2ALDH1A1HPGD
SCHEMBL5338301 0.77 AKT1 (0.48) AKT1AKT2NPC1RAB9A
SCHEMBL5317976 0.75 AKT1 (0.47) CNR1AKT1AKT2CNR2
SCHEMBL5337517 0.75 CNR1 (0.50) CNR1CNR2
SCHEMBL5342475 0.74 AKT1 (0.59) AKT1AKT2
SCHEMBL5333928 0.74 CNR1 (0.58) CNR1AKT1AKT2ALDH1A1
SCHEMBL5458903 0.73 AKT2 (0.48) CNR1AKT1AKT2NPC1RAB9A

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