SCHEMBL16596802

SCHEMBL16596802

CC(C)CC(C)C(C)CC(C)N1CCCC1

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C19 P33261 1/20 0.32
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
TDP1 Q9NUW8 1/20 0.32

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
SCHEMBL15363109 0.98 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL15362979 0.98 SLC6A2 (0.35) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL438502 0.87 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL19407706 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL18828088 0.84 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL15363026 0.83 CYP3A4 (0.31) CYP3A4CYP2D6CYP2C19ALDH1A1POLB
SCHEMBL15362997 0.81 CYP3A4 (0.33) CYP3A4CYP2D6CYP2C19ALDH1A1POLB
SCHEMBL16596786 0.80 CYP3A4 (0.35) CYP3A4CYP2D6CYP2C19ALDH1A1POLB
SCHEMBL16596812 0.80 SLC6A2 (0.36) SLC6A2SLC6A4SLC6A3CYP3A4CYP2D6
SCHEMBL16596836 0.79 SLC6A3 (0.34) SLC6A2SLC6A4SLC6A3

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-20150086860-A1 POWER STORAGE DEVICE SEMICONDUCTOR ENERGY LABORATORY CO., LTD. (JP) 2015-03-26 US disclosed