SCHEMBL28042124

SCHEMBL28042124

C=CCNCc1ccc(N)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ANPEP P15144 1/20 0.42
ERAP2 Q6P179 1/20 0.42
GFER P55789 1/20 0.41
ALDH1A1 P00352 1/20 0.41
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
LOXL2 Q9Y4K0 1/20 0.39
DPP7 Q9UHL4 1/20 0.38
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
HTT P42858 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36

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
SCHEMBL17291833 0.89 DPP7 (0.44) ALDH1A1TDP1DPP7SLC6A4MAOA
SCHEMBL2125786 0.79 TDP1 (0.55) ANPEPERAP2GFERALDH1A1CYP3A4
SCHEMBL6560123 0.79 CHRM2 (0.52) ALDH1A1TDP1CA12CA1CA2
SCHEMBL11567636 0.79 ALDH1A1 (0.46) ALDH1A1TSHRTDP1DPP7
SCHEMBL8018076 0.79 CA1 (0.44) ALDH1A1DPP7CA1CA2
SCHEMBL19700185 0.79 CHRM2 (0.52) ALDH1A1CYP3A4SLC6A2SLC6A4SLC6A3
SCHEMBL23997398 0.79 PYCR1 (0.50) DPP7CA12CA1CA2CA4
SCHEMBL10399359 0.79 LMNA (0.53) ALDH1A1DPP7
SCHEMBL19698781 0.79 LMNA (0.53) ALDH1A1CYP3A4DPP7CA12CA1
SCHEMBL681149 0.78 MEN1 (0.56) ALDH1A1TDP1DPP7MAOA

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-105001096-B A kind of method for preparing 4 amino N alkylbenzylamines 沈阳化工研究院有限公司 2017-07-21 CN claimed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN claimed
CN-105001096-B A kind of method for preparing 4 amino N alkylbenzylamines 沈阳化工研究院有限公司 2017-07-21 CN disclosed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN disclosed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN disclosed
CN-105001096-A 4-amino-N-alkyl benzylamine preparation methood SHENYANG RES INST CHEMICAL IND 2015-10-28 CN disclosed