SCHEMBL9801277

SCHEMBL9801277

CC(CCN)N1CCNCC1

nearest known ligand 0.33

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 6/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A3 Q01959 3/20 0.32
CHRM5 P08912 1/20 0.32
CHRM3 P20309 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GABBR2 O75899 1/20 0.31
GABBR1 Q9UBS5 1/20 0.31
KCNH2 Q12809 3/20 0.31
CYP2D6 P10635 2/20 0.31
SIGMAR1 Q99720 1/20 0.30
HTR7 P34969 1/20 0.30
SMN1; SMN2 Q16637 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
Ammonia Solution, Strong SCHEMBL4935269 0.98 SLC6A4 (0.31) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL9801549 0.88 SIGMAR1 (0.31) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL27094636 0.84
SCHEMBL2385429 0.84
SCHEMBL10305702 0.82 MEN1 (0.33) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL17916212 0.80 OPRL1 (0.40) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL18855182 0.80 CHRM5 (0.36) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL3822012 0.80 SIGMAR1 (0.36) SLC6A4SLC6A2SLC6A3CHRM5CHRM3
SCHEMBL3914623 0.79 GABBR2 (0.34) MEN1KMT2AGABBR2GABBR1CYP2D6
SCHEMBL28806945 0.79 SLC6A4 (0.30) SLC6A4SLC6A2SLC6A3CHRM5CHRM3

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-4992150-A Telomer with alpha-olefin;oil and fuel additive NIPPON OIL CO, LTD. (JP) 1991-02-12 US disclosed