SCHEMBL4408339

SCHEMBL4408339

CCCC1CC(=O)N(Cn2c(=O)[nH]c3ccc(OC)cc32)C1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 4/20 0.39
CBX7 O95931 1/20 0.38
CDYL2 Q8N8U2 1/20 0.38
CDYL Q9Y232 1/20 0.38
CDY1; CDY1B Q9Y6F8 1/20 0.38
CALCRL Q16602 1/20 0.37
HTR3A P46098 1/20 0.37
HTR4 Q13639 1/20 0.37
OPRM1 P35372 2/20 0.35
GRIN1 Q05586 2/20 0.35
GRIN2B Q13224 2/20 0.35
KDM4E B2RXH2 1/20 0.34
OPRD1 P41143 1/20 0.34
OPRK1 P41145 1/20 0.34
ADRA1B P35368 1/20 0.34
HTR7 P34969 1/20 0.33
PDE3B Q13370 1/20 0.33
PDE3A Q14432 1/20 0.33
MAPKAPK2 P49137 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL4415497 0.86 DAO (0.41) MAOBCALCRLOPRM1OPRD1OPRK1
SCHEMBL2957686 0.82 MEN1 (0.51) OPRM1OPRK1HTR7
SCHEMBL1666066 0.78 MTNR1A (0.37)
SCHEMBL30361134 0.77 PPARG (0.39)
SCHEMBL661457 0.77 PPARG (0.39)
SCHEMBL661964 0.76 TP53 (0.39) KDM4EHSD17B10
SCHEMBL662088 0.76 S1PR1 (0.40) HSD17B10
SCHEMBL1665515 0.76 TDP1 (0.42)
SCHEMBL661146 0.75 S1PR1 (0.37) HSD17B10
SCHEMBL2954970 0.75 MTNR1A (0.44) CDYL2CDYLCDY1; CDY1BKDM4EHSD17B10

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2050736-A1 Imidazole derivatives, processes for preparing them and their uses UCB Pharma, S.A. (BE) 2009-04-22 EP disclosed