SCHEMBL5273733

SCHEMBL5273733

CCI.CCI.CN(C)CCSCCN(C)C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 3/20 0.42
HTR1A P08908 1/20 0.42
DRD2 P14416 1/20 0.42
HTR2A P28223 1/20 0.42
DNM1 Q05193 3/20 0.33
ALDH1A1 P00352 3/20 0.33
TDP1 Q9NUW8 2/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.33
CA2 P00918 1/20 0.33
CA3 P07451 1/20 0.33
CA4 P22748 1/20 0.33
CA6 P23280 1/20 0.33
CA5A P35218 1/20 0.33
CA7 P43166 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
CA5B Q9Y2D0 1/20 0.33
MAPT P10636 1/20 0.32
CYP1A2 P05177 1/20 0.30

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
SCHEMBL789073 0.87 HTR7 (0.50) HTR7HTR1ADRD2HTR2ADNM1
SCHEMBL19021680 0.86
SCHEMBL11938139 0.84 HTR7 (0.48) HTR7HTR1ADRD2HTR2ADNM1
SCHEMBL11938142 0.84 HTR7 (0.48) HTR7HTR1ADRD2HTR2ADNM1
SCHEMBL19592642 0.82
SCHEMBL15614034 0.82
SCHEMBL12039646 0.79
SCHEMBL18848499 0.78 DNM1 (0.48) HTR7HTR1ADRD2HTR2ADNM1
SCHEMBL11938143 0.77 HTR7 (0.42) HTR7HTR1ADRD2HTR2ADNM1
SCHEMBL9557517 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1868594-A1 GANGLIONIC BLOCKING AGENTS FOR THE TREATMENT OF EPITHELIAL DISEASES Dow Pharmaceutical Sciences (US) 2007-12-26 EP disclosed
WO-2006104676-A1 GANGLIONIC BLOCKING AGENTS FOR THE TREATMENT OF EPITHELIAL DISEASES DOW PHARMACEUTICAL SCIENCES (US) 2006-10-05 WO disclosed
US-20060216350-A1 Ganglionic blocking agents for the treatment of epithelial diseases DOW PHARMACEUTICAL SCIENCES 2006-09-28 US disclosed