SCHEMBL28078229

SCHEMBL28078229

c1ccc(CCN2CCNCC2N2CCNCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 2/20 0.49
MITF O75030 1/20 0.48
HTR3A P46098 2/20 0.45
GBA1 P04062 1/20 0.42
SLC6A4 P31645 3/20 0.41
SLC6A3 Q01959 3/20 0.41
SLC6A2 P23975 2/20 0.41
GAA P10253 1/20 0.40
HTR2A P28223 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39

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
SCHEMBL27638743 0.79 SIGMAR1 (0.50) SIGMAR1MITFSLC6A4SLC6A3SLC6A2
SCHEMBL2549485 0.78 SIGMAR1 (0.41) SIGMAR1MITFHTR3ASLC6A4SLC6A3
SCHEMBL28379770 0.77 SIGMAR1 (0.39) SIGMAR1MITFSLC6A4SLC6A3SLC6A2
SCHEMBL6642409 0.77 MITF (0.48) SIGMAR1MITFHTR3ASLC6A4SLC6A3
SCHEMBL4892854 0.75 GRM2 (0.50) SIGMAR1MITFGBA1SLC6A4SLC6A3
SCHEMBL952368 0.74 CYP2C19 (0.48) SIGMAR1MITFHTR3AGBA1SLC6A4
SCHEMBL28247416 0.73 HTR6 (0.32)
SCHEMBL28078039 0.72 ALDH1A1 (0.48) GAA
SCHEMBL41969 0.72 SIGMAR1 (0.79) SIGMAR1SLC6A4SLC6A3
SCHEMBL3963041 0.72 SIGMAR1 (0.79) SIGMAR1SLC6A4SLC6A3

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-104046246-B The chemical-mechanical planarization of tungsten-containing substrate 气体产品与化学公司 2016-06-15 CN disclosed