SCHEMBL27780912

SCHEMBL27780912

CC(C)NC(Cc1ccccn1)NC(C)C

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
CYP1A2 P05177 3/20 0.49
CYP2C19 P33261 1/20 0.49
GRIN2D O15399 1/20 0.49
GRIN3B O60391 1/20 0.49
GRIN1 Q05586 1/20 0.49
GRIN2A Q12879 1/20 0.49
GRIN2B Q13224 1/20 0.49
GRIN2C Q14957 1/20 0.49
GRIN3A Q8TCU5 1/20 0.49
FDPS P14324 1/20 0.47
PTPRA P18433 1/20 0.47
HRH3 Q9Y5N1 1/20 0.47
LMNA P02545 1/20 0.46
TAAR1 Q96RJ0 1/20 0.46
ALOX15 P16050 1/20 0.46
SMN1; SMN2 Q16637 3/20 0.44
MAPT P10636 2/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 1/20 0.44

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
SCHEMBL22457769 0.81 GRIN2D (0.54) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL24875250 0.80 CYP1A2 (0.42) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL104860 0.79 GRIN2D (0.55) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL2352782 0.79 GRIN2D (0.55) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL13957292 0.79 PTPRA (0.58) ALDH1A1CYP1A2GRIN2DGRIN3BGRIN1
Hydrochloric Acid SCHEMBL28948556 0.78 GRIN2D (0.53) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
Ammonia Solution, Strong SCHEMBL5620498 0.78 GRIN2D (0.53) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL14009999 0.77 PTPRA (0.49) ALDH1A1CYP1A2CYP2C19FDPSPTPRA
SCHEMBL13188544 0.77 TAAR1 (0.52) ALDH1A1CYP1A2CYP2C19GRIN2DGRIN3B
SCHEMBL19487340 0.76 PTPRA (0.48) ALDH1A1CYP1A2FDPSPTPRALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101723856-B Method for preparing cyhalothrin JIANGSU HUANGMA AGROCHEMICALS CO LTD 2012-08-08 CN disclosed
CN-101723856-A Method for preparing cyhalothrin JIANGSU HUANGMA AGROCHEMICALS 2010-06-09 CN disclosed
CN-101709040-A Method for preparing fenpropathrin JIANGSU HUANGMA AGROCHEMICALS 2010-05-19 CN disclosed