SCHEMBL28877587

SCHEMBL28877587

CCCN(CCC)c1cccc(CC)c1N

nearest known ligand 0.38

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 2/20 0.38
GABRB2 P47870 2/20 0.38
ALDH3A1 P30838 3/20 0.36
ALDH1A3 P47895 2/20 0.36
ALDH1A1 P00352 2/20 0.36
TLR8 Q9NR97 1/20 0.35
CRHR1 P34998 9/20 0.34
GAA P10253 1/20 0.33
MAPT P10636 1/20 0.33
ELANE P08246 1/20 0.33
HTR1A P08908 1/20 0.33

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
SCHEMBL30462984 0.80 HTR1A (0.40) GABRA1GABRB2ALDH3A1ALDH1A3ALDH1A1
SCHEMBL28309205 0.79 GABRA1 (0.41) GABRA1GABRB2ALDH1A1TLR8GAA
SCHEMBL9488567 0.77 GABRA1 (0.45) GABRA1GABRB2ALDH1A1GAAMAPT
SCHEMBL8291059 0.76 TP53 (0.42) ALDH1A1CRHR1GAAMAPT
SCHEMBL7778010 0.76 G6PD (0.51) ALDH1A1CRHR1GAA
SCHEMBL1332031 0.75 GABRA1 (0.55) GABRA1GABRB2ALDH1A1TLR8GAA
SCHEMBL262868 0.75 GABRA1 (0.55) GABRA1GABRB2ALDH1A1TLR8GAA
SCHEMBL18600300 0.74 ELANE (0.41) ALDH3A1ALDH1A3ALDH1A1CRHR1GAA
SCHEMBL24985296 0.74 GABRA1 (0.44) GABRA1GABRB2CRHR1ELANEHTR1A
SCHEMBL11788588 0.73 MEN1 (0.45) GABRA1GABRB2ALDH3A1ALDH1A3ALDH1A1

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-110402201-A Linerless thermosensitive recording body package body RICOH CO LTD 2019-11-01 CN disclosed