SCHEMBL17237667

SCHEMBL17237667

CCC(COC)N1CCCCC1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
MAPT P10636 1/20 0.32
MAPK1 P28482 1/20 0.32
NPSR1 Q6W5P4 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
CHRM2 P08172 1/20 0.31
CHRM1 P11229 1/20 0.31
CHRM3 P20309 1/20 0.31
ALDH1A1 P00352 1/20 0.31
ESR1 P03372 2/20 0.30
ESR2 Q92731 2/20 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
SCHEMBL12712785 0.98 SLC6A4 (0.34) SLC6A4SLC6A3ESR1ESR2
SCHEMBL12712888 0.98 SLC6A4 (0.34) SLC6A4SLC6A3ESR1ESR2
SCHEMBL12210663 0.98 SLC6A4 (0.34) SLC6A4SLC6A3ESR1ESR2
SCHEMBL3309623 0.81 SLC6A4 (0.39) SLC6A4SLC6A3ALDH1A1
SCHEMBL19334589 0.81 SLC6A4 (0.39) SLC6A4SLC6A3ALDH1A1
Water SCHEMBL28471103 0.79 SLC6A3 (0.38) SLC6A4SLC6A3ALDH1A1
SCHEMBL3307691 0.78 SLC6A4 (0.40) SLC6A4SLC6A3ALDH1A1
SCHEMBL19413491 0.77 SLC6A4 (0.33) SLC6A4SLC6A3MAPTCHRM1CHRM3
SCHEMBL26008045 0.76 SLC6A4 (0.33) SLC6A4SLC6A3
SCHEMBL10041925 0.74 SLC6A4 (0.33) SLC6A4SLC6A3

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-20150325883-A1 ELECTROCHEMICAL ENERGY STORAGE DEVICE KYOTO UNIVERSITY (JP) 2015-11-12 US disclosed