SCHEMBL7320674

SCHEMBL7320674

CCCc1ccsc1C1(O[C@H](C)[C@H](N)C(=O)O)c2ccccc2-c2ccccc21

nearest known ligand 0.33

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 4/20 0.33
SLC1A2 P43004 4/20 0.33
SLC1A1 P43005 4/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
PPARA Q07869 3/20 0.33
LTB4R Q15722 1/20 0.33
CHRM3 P20309 1/20 0.33
KIF11 P52732 2/20 0.32
PPARG P37231 2/20 0.32
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
ITGA4 P13612 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
SCHEMBL7320664 1.00 SLC1A3 (0.33) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7312191 0.93 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7312197 0.93 SLC1A3 (0.35) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7323361 0.84 KIF11 (0.34) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7323367 0.84 KIF11 (0.34) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7320630 0.83 BCAT2 (0.37) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7320627 0.83 BCAT2 (0.37) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7317072 0.81 KIF11 (0.38) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7317067 0.81 KIF11 (0.38) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7324804 0.80 SLC1A3 (0.34) SLC1A3SLC1A2SLC1A1MEN1CYP1A2

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