SCHEMBL11226530

SCHEMBL11226530

CN(C)CCC(Oc1cnccn1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.49
HRH3 Q9Y5N1 5/20 0.49
SLC6A2 P23975 2/20 0.46
CHRM2 P08172 1/20 0.46
SCN1A P35498 1/20 0.46
SCN2A Q99250 1/20 0.46
SCN3A Q9NY46 1/20 0.46
HTR2A P28223 2/20 0.45
HRH1 P35367 2/20 0.45
NOX1 Q9Y5S8 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
TSHR P16473 1/20 0.39
CYP2C19 P33261 1/20 0.39
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
RAB9A P51151 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
SCHEMBL11236550 0.85 SLC6A4 (0.56) SLC6A4HRH3SLC6A2CHRM2SCN1A
SCHEMBL15618230 0.77 SLC6A4 (0.48) SLC6A4HRH3SLC6A2CHRM2SCN1A
SCHEMBL11239618 0.77 SLC6A4 (0.68) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL7158810 0.75 SLC6A4 (0.73) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL15618267 0.74 MAPT (0.48) SLC6A4HRH3NOX1
SCHEMBL15618287 0.74 SLC6A4 (0.56) SLC6A4HRH3SLC6A2CHRM2SCN1A
SCHEMBL11228306 0.73 SLC6A4 (0.49) SLC6A4HRH3SLC6A2CHRM2SCN1A
SCHEMBL15618236 0.73 SLC6A4 (0.49) SLC6A4HRH3SLC6A2CHRM2SCN1A
SCHEMBL15618532 0.72 SLC6A4 (0.57) SLC6A4HRH3SLC6A2HTR2AHRH1
SCHEMBL15618331 0.72 SLC6A4 (0.48) SLC6A4HRH3SLC6A2CHRM2SCN1A

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
US-4330546-A 3-Aryl-3-aryloxypropylamines JOHN WYETH & BROTHER LIMITED (GB) 1982-05-18 US disclosed