SCHEMBL7321995

SCHEMBL7321995

N[C@@H](COC1(c2cccs2)c2ccccc2CCc2ccccc21)C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 16/20 0.46
SLC1A3 P43003 2/20 0.39
SLC1A2 P43004 2/20 0.39
SLC1A1 P43005 2/20 0.39
SLC6A2 P23975 1/20 0.35
SLC6A4 P31645 1/20 0.35
SLC6A3 Q01959 1/20 0.35
SLC1A5 Q15758 1/20 0.34
MEN1 O00255 1/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL7325243 0.87 KIF11 (0.42) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7318340 0.85 KIF11 (0.42) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7325902 0.83 KIF11 (0.57) KIF11SLC1A5
SCHEMBL7391083 0.70 SLC1A3 (0.32) KIF11SLC1A3SLC1A2SLC1A1
SCHEMBL7316648 0.68 KIF11 (0.42) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7323114 0.68 KIF11 (0.55) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7314907 0.68 KIF11 (0.55) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7326141 0.68 KIF11 (0.42) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7322800 0.67 KIF11 (0.45) KIF11SLC1A3SLC1A2SLC1A1SLC1A5
SCHEMBL7319059 0.66 CHRM2 (0.42) SLC6A2SLC6A4SLC6A3MEN1KMT2A

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-6162824-A NERVOUS SYSTEM DISORDERS; PSYCHOLOGICAL DISORDERS ALLELIX NEUROSCIENCE INC. 2000-12-19 US disclosed