SCHEMBL5805306

SCHEMBL5805306

O=c1n(CCN2CCCCC2)nc(-c2ccncc2)n1-c1ccc(F)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 2/20 0.44
DRD3 P35462 1/20 0.44
MAPK14 Q16539 4/20 0.43
MAPK13 O15264 2/20 0.43
MAPK12 P53778 2/20 0.43
MAPK11 Q15759 2/20 0.43
HRH3 Q9Y5N1 1/20 0.41
MCHR1 Q99705 1/20 0.40
NPC1 O15118 2/20 0.40
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
USP5 P45974 1/20 0.40
RAB9A P51151 1/20 0.40
USP14 P54578 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
MEN1 O00255 1/20 0.39
ALDH1A1 P00352 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL5804051 0.90 MAPK14 (0.47) MAPK14MAPK13MAPK12MAPK11NPC1
SCHEMBL5816404 0.90 CYP2C19 (0.47) DRD2DRD3HRH3MCHR1NPC1
SCHEMBL5806158 0.83 GRIN1 (0.49) DRD2DRD3HRH3NPC1CYP2C19
SCHEMBL5807254 0.80 GRIN1 (0.47) NPC1KDM4EHPGDRAB9ASMN1; SMN2
SCHEMBL5820709 0.80 MAPT (0.47) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL5805633 0.78 MAPT (0.53) MAPK14MAPK13MAPK12MAPK11MEN1
SCHEMBL15452733 0.76 DRD2 (0.43) DRD2DRD3HRH3KDM4EHPGD
SCHEMBL5814608 0.74 MAPK9 (0.43) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL5806904 0.74 MAPK9 (0.43) MAPK14MAPK13MAPK12MAPK11HPGD
SCHEMBL5814956 0.72 MAPK9 (0.42) MAPK14MAPK13MAPK12MAPK11

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-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO claimed
WO-2006117657-A1 TRIAZOLONE DERIVATIVES AS ANTI-INFLAMMATORY AGENTS RANBAXY LABORATORIES LIMITED (US) 2006-11-09 WO disclosed