SCHEMBL8977697

SCHEMBL8977697

S=C1NCC(c2ccc(Cl)c(Cl)c2)O1

nearest known ligand 0.57

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 16/20 0.43
SLC6A3 Q01959 14/20 0.43
SLC6A4 P31645 10/20 0.41
CYP2D6 P10635 4/20 0.41
KCNH2 Q12809 4/20 0.41
MAOB P27338 3/20 0.38

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
SCHEMBL30020434 0.74 PRKAB2 (0.51) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL29448834 0.73 TSHR (0.45) SLC6A2SLC6A3SLC6A4MAOB
SCHEMBL25831573 0.70 GSTO1 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL4311235 0.70 GSTO1 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL749492 0.70 GSTO1 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL1690562 0.70 GSTO1 (0.53) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL27332932 0.69 SLC6A2 (0.46) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL14893783 0.67 SLC6A2 (0.43) SLC6A2SLC6A3SLC6A4CYP2D6KCNH2
SCHEMBL1690807 0.67 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4
SCHEMBL1690560 0.67 SLC6A2 (0.59) SLC6A2SLC6A3SLC6A4

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
EP-0378308-B1 Acrylate fungicides AGREVO UK LTD (GB) 1996-04-10 EP disclosed