SCHEMBL6205124

SCHEMBL6205124

CNCCCNCc1ccccn1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.72
HRH3 Q9Y5N1 1/20 0.61
SCN8A Q9UQD0 1/20 0.60
ALOX15 P16050 3/20 0.59
ALDH1A1 P00352 3/20 0.59
LMNA P02545 2/20 0.59
TAAR1 Q96RJ0 1/20 0.59
TDP1 Q9NUW8 1/20 0.51
SIRT2 Q8IXJ6 1/20 0.50
KDM4E B2RXH2 3/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.48
KMT2A Q03164 2/20 0.48
MAOA P21397 1/20 0.47
MAOB P27338 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
HTR2A P28223 1/20 0.46
HTR2C P28335 1/20 0.46
CYP1A2 P05177 2/20 0.45

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
SCHEMBL6231722 0.91 CHRM2 (0.85) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL5545508 0.89 CHRM2 (0.66) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL9184672 0.89 CHRM2 (0.89) CHRM2HRH3SCN8AALOX15ALDH1A1
Hydrochloric Acid SCHEMBL10698987 0.87 CHRM2 (0.86) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL9777408 0.87 CHRM2 (0.86) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL9777421 0.87 CHRM2 (0.93) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL9188072 0.87 CHRM2 (0.86) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL16741961 0.87 CHRM2 (0.92) CHRM2HRH3SCN8AALOX15ALDH1A1
SCHEMBL9777405 0.86 CHRM2 (0.83) CHRM2HRH3SCN8AALOX15ALDH1A1
Hydrochloric Acid SCHEMBL10617762 0.86 CHRM2 (0.83) CHRM2HRH3SCN8AALOX15ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1351646-A Composition and method for bleaching a substrate UNILEVER PLC (NL) 2002-05-29 CN claimed
EP-1506277-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2005-02-16 EP disclosed
WO-2003097780-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-11-27 WO disclosed
EP-1341893-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2003-09-10 EP disclosed
WO-2002048307-A1 ENZYMATIC DETERGENT COMPOSITIONS UNILEVER N.V. (NL) 2002-06-20 WO disclosed
CN-1351646-A Composition and method for bleaching a substrate UNILEVER PLC (NL) 2002-05-29 CN disclosed