SCHEMBL7958440

SCHEMBL7958440

O=CC(OCc1ccccc1)c1cccc(Cl)n1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC1A3 P43003 3/20 0.40
SLC1A2 P43004 3/20 0.40
SLC1A1 P43005 3/20 0.40
MEN1 O00255 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
KMT2A Q03164 1/20 0.40
MAOA P21397 1/20 0.33
MAOB P27338 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNA4 P43681 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
ALDH1A1 P00352 1/20 0.33
P2RX7 Q99572 1/20 0.32
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
PTGDR2 Q9Y5Y4 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
SCHEMBL9025351 0.73 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL8467072 0.73 SLC1A3 (0.46) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL22164377 0.72 ALDH1A1 (0.39) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7975148 0.69 IDO1 (0.37) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL7068115 0.67 SLC1A3 (0.44) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL6027334 0.66 SLC1A3 (0.49) SLC1A3SLC1A2SLC1A1MEN1CYP1A2
SCHEMBL229009 0.65 GRM5 (0.46) CYP2D6CYP2C19L3MBTL1ALDH1A1
SCHEMBL29518247 0.65 GRM5 (0.46) CYP2D6CYP2C19L3MBTL1ALDH1A1
SCHEMBL28451883 0.65 AOC3 (0.53) MEN1KMT2AL3MBTL1ALDH1A1TSHR
SCHEMBL7501665 0.64 SLC1A3 (0.51) 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
WO-2001017965-A2 CYANOPIPERIDINES AS PESTICIDES SYNGENTA PARTICIPATIONS AG (CH) 2001-03-15 WO disclosed