SCHEMBL5339960

SCHEMBL5339960

CCCCCNC(=O)c1cccn2c(-c3ccc(Cl)cc3)c(-c3ccc(Br)cc3)nc12

nearest known ligand 0.56

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 4/20 0.56
CNR2 P34972 2/20 0.42
HPGD P15428 2/20 0.40
AKT1 P31749 2/20 0.40
AKT2 P31751 2/20 0.40
POLR1A O95602 2/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40

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
SCHEMBL5340752 0.82 CNR1 (0.53) CNR1AKT1AKT2
SCHEMBL5341869 0.80 AKT2 (0.47) AKT1AKT2KDM4EHSD17B10
SCHEMBL5318509 0.79 CNR1 (0.55) CNR1CNR2
SCHEMBL5355542 0.75 CNR1 (0.59) CNR1CNR2HPGDKDM4EALDH1A1
SCHEMBL5337928 0.74 AKT1 (0.52) AKT1AKT2KDM4EHSD17B10
SCHEMBL5478849 0.72 AKT1 (0.55) AKT1AKT2KDM4EHSD17B10
SCHEMBL4080428 0.72 CNR1 (1.00) CNR1CNR2HPGDKDM4EALDH1A1
SCHEMBL5340645 0.71 AKT1 (0.54) AKT1AKT2KDM4EHSD17B10
SCHEMBL5337592 0.69 CNR1 (0.52) CNR1CNR2AKT1AKT2
SCHEMBL5337517 0.69 CNR1 (0.50) CNR1CNR2

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