SCHEMBL28217034

SCHEMBL28217034

CN(C)Cc1ccc(CN(C)C)c(CN(C)C)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.54
CYP2C9 P11712 1/20 0.52
ALOX15 P16050 1/20 0.52
HSD17B10 Q99714 1/20 0.52
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
SLC6A4 P31645 4/20 0.47
SLC6A2 P23975 3/20 0.47
SLC6A3 Q01959 2/20 0.47
TAAR1 Q96RJ0 2/20 0.46
GAA P10253 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
THRB P10828 1/20 0.46
G6PD P11413 1/20 0.46
PABPC1 P11940 1/20 0.46
KMT2A Q03164 1/20 0.46
HKDC1 Q2TB90 1/20 0.46

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
SCHEMBL10619693 0.86 HRH3 (0.50) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL8067824 0.85 HRH3 (0.45) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL1698928 0.84 ALDH1A1 (0.64) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL29405336 0.84 ALDH1A1 (0.64) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL13241076 0.82 HRH3 (0.46) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL10598254 0.82 SLC6A2 (0.49) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL12295932 0.81 CYP2C9 (0.48) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL14203178 0.81 HRH3 (0.45) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL7672096 0.79 MAPT (0.45) HRH3CYP2C9ALOX15HSD17B10ALDH1A1
SCHEMBL7672092 0.79 HRH3 (0.43) HRH3CYP2C9ALOX15HSD17B10ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108017827-A Fire-retardant communication cable coating resin of high-performance environment-friendly and preparation method thereof 南京楚卿电子科技有限公司 2018-05-11 CN disclosed
CN-107935478-A A kind of epoxy resin pervious material and its application 芜湖德司节能科技有限公司 2018-04-20 CN disclosed