SCHEMBL7105832

SCHEMBL7105832

NCCC(N)CNCc1ccccn1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.54
DNM1 Q05193 1/20 0.49
CHRM2 P08172 1/20 0.49
HRH1 P35367 2/20 0.47
MAOA P21397 2/20 0.44
MAOB P27338 2/20 0.44
SMN1; SMN2 Q16637 1/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
ALDH1A1 P00352 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C19 P33261 1/20 0.42
GRIN2D O15399 1/20 0.41
GRIN3B O60391 1/20 0.41
GRIN1 Q05586 1/20 0.41
GRIN2A Q12879 1/20 0.41
GRIN2B Q13224 1/20 0.41
GRIN2C Q14957 1/20 0.41
GRIN3A Q8TCU5 1/20 0.41
SIRT2 Q8IXJ6 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
SCHEMBL8508004 0.89 KDM4E (0.56) KDM4EDNM1CHRM2MAOAMAOB
SCHEMBL18920800 0.84 KDM4E (0.56) KDM4EDNM1CHRM2HRH1MAOA
SCHEMBL2360199 0.79 SMN1; SMN2 (0.56) KDM4EDNM1CHRM2SMN1; SMN2MEN1
SCHEMBL20024600 0.79 KDM4E (0.58) KDM4EDNM1CHRM2HRH1MAOA
SCHEMBL27484479 0.78 GRIN2D (0.56) HRH1MAOAMAOBSMN1; SMN2GRIN2D
SCHEMBL8507957 0.78 KDM4E (0.57) KDM4EDNM1CHRM2MAOAMAOB
SCHEMBL4758499 0.77 CHRM2 (0.55) KDM4EDNM1CHRM2MAOAMAOB
SCHEMBL8718335 0.77 HRH1 (0.63) HRH1SMN1; SMN2ALDH1A1CYP1A2CYP2C19
SCHEMBL160154 0.76 CHRM2 (0.73) KDM4ECHRM2HRH1MAOAMAOB
SCHEMBL13939066 0.76 KDM4E (0.63) KDM4EDNM1CHRM2HRH1MAOA

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-2004000985-A1 USE OF TRANSITION METAL COMPLEXES AS A BLEACHING CATALYST DEGUSSA AG (DE) 2003-12-31 WO disclosed