SCHEMBL6552029

SCHEMBL6552029

CCC(NCc1ccccc1)c1ccc(OC)cc1

nearest known ligand 0.62

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.56
CASR P41180 2/20 0.51
MEN1 O00255 3/20 0.50
KMT2A Q03164 3/20 0.50
HTT P42858 1/20 0.49
PLA2G1B P04054 1/20 0.48
ATG4B Q9Y4P1 1/20 0.48
CNR2 P34972 1/20 0.48
LTA4H P09960 1/20 0.47
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.46
CHRM2 P08172 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
SCHEMBL27826995 1.00 TDP1 (0.56) TDP1CASRMEN1KMT2AHTT
SCHEMBL8092329 0.94 TDP1 (0.59) TDP1CASRMEN1KMT2AHTT
SCHEMBL11883479 0.88 SMN1; SMN2 (0.56) MEN1KMT2ASMN1; SMN2L3MBTL1CHRM2
SCHEMBL28441181 0.85 SMN1; SMN2 (0.50) TDP1MEN1KMT2AHTTCNR2
SCHEMBL4345247 0.85 SMN1; SMN2 (0.61) CASRMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL9063682 0.85 SMN1; SMN2 (0.61) CASRMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL2190054 0.85 SMN1; SMN2 (0.61) CASRMEN1KMT2ASMN1; SMN2L3MBTL1
SCHEMBL4852606 0.84 PLA2G1B (0.55) TDP1CASRMEN1KMT2AHTT
SCHEMBL9672985 0.84 TDP1 (0.52) TDP1CASRMEN1KMT2AHTT
Hydrochloric Acid SCHEMBL3756451 0.83 SMN1; SMN2 (0.59) CASRMEN1KMT2AHTTALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101921200-B Preparation method of N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2014-01-15 CN disclosed
CN-101921200-B Preparation method of N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2014-01-15 CN disclosed
CN-102126961-B Preparation method of R-1-(4-methoxyphenyl)-N-benzyl-2-propylamine BEIJING JIALIN PHARMACEUTICAL CO LTD 2013-11-20 CN disclosed
CN-102126961-A Preparation method of R-1-(4-methoxyphenyl)-N-benzyl-2-propylamine BEIJING JIALIN PHARMACEUTICAL CO LTD 2011-07-20 CN disclosed
CN-101921200-A Preparation method of N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2010-12-22 CN disclosed
CN-101921199-A Method for preparing N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2010-12-22 CN disclosed
CN-101921200-A Preparation method of N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2010-12-22 CN disclosed
CN-101921199-A Method for preparing N-benzyl-1-(4-methoxyphenyl)-2-propylamine SHANGHAI INST PHARM INDUSTRY 2010-12-22 CN disclosed
EP-1082293-B1 FORMOTEROL POLYMORPHS SEPRACOR INC (US) 2004-02-18 EP disclosed