SCHEMBL6005222

SCHEMBL6005222

C=CC(=O)NC(c1ccccc1)N(CC)CC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGM2 P21980 1/20 0.41
PGR P06401 1/20 0.41
ADRA2A P08913 1/20 0.41
ADRA2B P18089 1/20 0.41
HTR2A P28223 1/20 0.41
HRH1 P35367 1/20 0.41
KCNH2 Q12809 1/20 0.41
CYP2C19 P33261 3/20 0.40
ALDH1A1 P00352 3/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
HPGD P15428 1/20 0.39
POLB P06746 2/20 0.39
LMNA P02545 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CNR2 P34972 2/20 0.39
ACACB O00763 1/20 0.39
TSHR P16473 1/20 0.38
OPRD1 P41143 1/20 0.37

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
SCHEMBL10483621 0.76 ALDH1A1 (0.55) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL17183807 0.74 TACR3 (0.46) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL4415392 0.74 TDP1 (0.63) ALDH1A1HPGDPOLBLMNAMEN1
SCHEMBL28207649 0.74 TDP1 (0.63) ALDH1A1HPGDPOLBLMNAMEN1
SCHEMBL5527681 0.74 TDP1 (0.63) ALDH1A1HPGDPOLBLMNAMEN1
SCHEMBL345815 0.73 TGM2 (0.52) TGM2CYP2C19ALDH1A1HPGDLMNA
SCHEMBL17320255 0.73 TGM2 (0.52) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL3903507 0.73 CYP2C19 (0.68) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL701472 0.72 TGM2 (0.50) TGM2CYP2C19ALDH1A1CYP3A4CYP2C9
SCHEMBL7910706 0.72 TACR3 (0.50) CYP2C19ALDH1A1CYP3A4CYP2C9HPGD

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-2006134788-A1 POSITIVE CHARGE CONTROL RESIN FOR ELECTROPHOTOGRAPHIC FUNCTIONAL COMPONENT PARTS, DEVELOPING ROLLER, AND ELECTROPHOTOGRAPHIC APPARATUS CANON KASEI KABUSHIKI KAISHA (JP) 2006-12-21 WO disclosed