SCHEMBL808187

SCHEMBL808187

Cc1cccc(N2CCC(C)(c3cc(Cl)c(Cl)c(Cl)c3)C2)n1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR3E A5X5Y0 2/20 0.43
HTR3B O95264 2/20 0.43
HTR3A P46098 2/20 0.43
HTR3D Q70Z44 2/20 0.43
HTR3C Q8WXA8 2/20 0.43
GRIN2B Q13224 4/20 0.38
PTPN11 Q06124 6/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
KMT2A Q03164 2/20 0.36
MEN1 O00255 1/20 0.36
MAPK1 P28482 1/20 0.36
KCNH2 Q12809 2/20 0.36
MAPT P10636 1/20 0.35
RECQL P46063 1/20 0.35
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KDM4E B2RXH2 1/20 0.34
ALDH1A1 P00352 1/20 0.34

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
SCHEMBL794303 0.81 HTR3E (0.40) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL807796 0.81 JAK2 (0.38) PTPN11
SCHEMBL808210 0.78 PTPN11 (0.34) PTPN11KCNH2
SCHEMBL23107259 0.69 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23103959 0.69 HTR3E (0.55) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL808215 0.69 DRD2 (0.36) ALDH1A1
SCHEMBL29898375 0.68 HTR3E (0.62) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL23830208 0.67 HTR3E (0.56) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL1515249 0.65 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C
SCHEMBL31415224 0.65 HTR3E (0.72) HTR3EHTR3BHTR3AHTR3DHTR3C

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
WO-2012035011-A1 PESTICIDAL ARYLPYRROLIDINES BAYER CROPSCIENCE AG (DE) 2012-03-22 WO disclosed