SCHEMBL4565748

SCHEMBL4565748

FC1CCC(Cn2cnc3c[c]ccc32)CC1

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GABRG2 P18507 10/20 0.40
GABRB3 P28472 10/20 0.40
GABRA5 P31644 10/20 0.40
LMNA P02545 1/20 0.35
TSHR P16473 1/20 0.35
HTT P42858 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
MAPK13 O15264 2/20 0.34
MAPK12 P53778 2/20 0.34
MAPK11 Q15759 2/20 0.34
MAPK14 Q16539 2/20 0.34
NAMPT P43490 1/20 0.33
CHEK1 O14757 1/20 0.32
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
CCR5 P51681 1/20 0.32
GRIN2B Q13224 1/20 0.31

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
SCHEMBL16404602 0.71 HTT (0.62) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL9557677 0.71 NPC1 (0.41) LMNAHTTCYP11B1CYP11B2
SCHEMBL693867 0.71 TDP1 (0.36) LMNATSHRHTTNPSR1CYP11B1
SCHEMBL699651 0.69 TDP1 (0.41) LMNATSHRHTTNPSR1CYP11B1
SCHEMBL7805166 0.67 CYP11B1 (0.66) LMNATSHRHTTNPSR1CYP11B1
SCHEMBL16736623 0.67 MAPT (0.62) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL17678240 0.67 GABRG2 (0.47) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL17678030 0.67 GABRG2 (0.47) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL21883050 0.66 HTT (0.72) GABRG2GABRB3GABRA5LMNATSHR
SCHEMBL4622510 0.66 HTR6 (0.39) LMNATSHRGRIN2B

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
EP-2010526-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS AstraZeneca AB (SE) 2009-01-07 EP disclosed
WO-2007120101-A1 BENZIMIDAZOLE 5-SULFONAMIDE DERIVATIVES AS CANNABINOID 1 (CB1) RECEPTOR LIGANDS ASTRAZENECA AB (SE) 2007-10-25 WO disclosed