SCHEMBL28078110

SCHEMBL28078110

CC(C=O)N(C)Cc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA2B P18089 1/20 0.56
ADRA2C P18825 1/20 0.56
SLC6A2 P23975 1/20 0.56
HTR2A P28223 1/20 0.56
SLC6A4 P31645 1/20 0.56
ADRA1A P35348 1/20 0.56
OPRK1 P41145 1/20 0.56
SLC6A3 Q01959 1/20 0.56
KCNH2 Q12809 1/20 0.56
ALDH1A1 P00352 3/20 0.48
TSHR P16473 2/20 0.48
AOC3 Q16853 1/20 0.45
HPGD P15428 1/20 0.45
MEN1 O00255 3/20 0.43
KMT2A Q03164 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CA12 O43570 1/20 0.43
CA9 Q16790 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL1371851 0.82 TSHR (0.45) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL1371848 0.82 TSHR (0.45) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL4662517 0.82 TSHR (0.45) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL9470012 0.81 ADRA2B (0.53) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL24323135 0.80 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL29059495 0.80 ADRA2B (0.51) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL4150592 0.79 ADRA2B (0.50) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL9470043 0.79 KMT2A (0.54) ADRA2BADRA2CSLC6A2HTR2ASLC6A4
SCHEMBL4473656 0.78 MEN1 (0.57) ALDH1A1HPGDMEN1KMT2ANPC1
SCHEMBL18421289 0.78 HTR2A (0.53) ADRA2BADRA2CSLC6A2HTR2ASLC6A4

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
CN-103313995-B Secondary aminosilanes SIKA技术股份公司 2016-08-10 CN claimed