SCHEMBL7812924

SCHEMBL7812924

CNC1CCN(c2ccc(C)c(Br)c2)C1=O

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.52
GAA P10253 1/20 0.43
ROCK2 O75116 2/20 0.43
HDAC6 Q9UBN7 6/20 0.40
HDAC1 Q13547 5/20 0.40
HDAC8 Q9BY41 5/20 0.40
CYP2D6 P10635 2/20 0.40
SLC6A2 P23975 2/20 0.40
SLC6A4 P31645 2/20 0.40
CYP2C19 P33261 2/20 0.40
SLC6A3 Q01959 2/20 0.40
KCNH2 Q12809 2/20 0.40
F10 P00742 3/20 0.39
FPR2 P25090 2/20 0.39
FPR1 P21462 1/20 0.38
TSHR P16473 1/20 0.37

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 0.84 SLC6A2 (0.52) ROCK2HDAC6HDAC1HDAC8CYP2D6
SCHEMBL7814515 0.83 ROCK2 (0.38) L3MBTL1ROCK2HDAC6HDAC1HDAC8
SCHEMBL6514555 0.82 ROCK2 (0.47) ROCK2
SCHEMBL27567435 0.82 ROCK2 (0.40) L3MBTL1ROCK2HDAC6HDAC1HDAC8
SCHEMBL20924982 0.81 ROCK2 (0.56) ROCK2HDAC6HDAC1HDAC8FPR2
SCHEMBL7806511 0.81 SLC6A2 (0.51) ROCK2HDAC6HDAC1HDAC8CYP2D6
SCHEMBL7812739 0.80 ROCK2 (0.43) ROCK2HDAC6HDAC1HDAC8CYP2D6
SCHEMBL7819700 0.78 ROCK2 (0.46) ROCK2
SCHEMBL7813013 0.77 SLC6A2 (0.64) HDAC6HDAC1HDAC8CYP2D6SLC6A2
SCHEMBL19513372 0.74 HDAC1 (0.58) HDAC6HDAC1HDAC8CYP2D6SLC6A2

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