SCHEMBL7813013

SCHEMBL7813013

CNC1CCN(c2ccc(Cl)c(Cl)c2)C1=O

nearest known ligand 0.64

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 15/20 0.64
SLC6A4 P31645 15/20 0.64
SLC6A3 Q01959 12/20 0.64
CYP2D6 P10635 5/20 0.64
KCNH2 Q12809 4/20 0.64
CYP2C19 P33261 2/20 0.64
HDAC1 Q13547 2/20 0.58
HDAC8 Q9BY41 2/20 0.58
HDAC6 Q9UBN7 2/20 0.58
F10 P00742 3/20 0.45
CYP2C9 P11712 1/20 0.44

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
SCHEMBL7816330 0.90 SLC6A2 (0.52) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL7806511 0.89 SLC6A2 (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6530315 0.87 CYP2D6 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL7819893 0.87 SLC6A2 (0.50) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL27570505 0.85 SLC6A2 (0.48) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL27547197 0.84 SLC6A2 (0.47) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL6509504 0.84 NOTUM (0.51) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19513372 0.82 HDAC1 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL19513366 0.82 HDAC1 (0.58) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2
SCHEMBL7806223 0.81 F10 (0.43) SLC6A2SLC6A4SLC6A3CYP2D6KCNH2

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1119547-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES Syngenta Limited (GB) 2001-08-01 EP disclosed
WO-2000021928-A1 SUBSTITUTED PYRROLIDINONE, THIAZOLIDINONE OR OXAZOLIDINONE AS HERBICIDES SYNGENTA LIMITED (GB) 2000-04-20 WO disclosed