SCHEMBL27445509

SCHEMBL27445509

CC(=O)N(c1c(F)cccc1Cl)C1(C#N)CCN(C)CC1

nearest known ligand 0.39

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.38
OPRM1 P35372 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.36
CXCR2 P25025 2/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
GFER P55789 1/20 0.34

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
SCHEMBL27489603 0.90 HIF1A (0.38) ALDH1A1KDM4EMAPTGFER
SCHEMBL6771752 0.81 OPRM1 (0.39) ALDH1A1OPRM1CXCR2KDM4EMAPT
SCHEMBL6850209 0.79 OPRM1 (0.40) ALDH1A1OPRM1CXCR2
SCHEMBL7160989 0.76 OPRM1 (0.49) ALDH1A1OPRM1KDM4E
SCHEMBL6771164 0.74 OPRM1 (0.38) ALDH1A1OPRM1KDM4E
SCHEMBL6771076 0.73 OPRM1 (0.37) ALDH1A1OPRM1
SCHEMBL6766373 0.71 KMT2A (0.41) ALDH1A1OPRM1KDM4EMAPTGFER
SCHEMBL6765932 0.70 S1PR5 (0.43) OPRM1
SCHEMBL6765258 0.69 OPRM1 (0.41) OPRM1
SCHEMBL6850630 0.69 MEN1 (0.41) ALDH1A1OPRM1KDM4EMAPTGFER

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
CN-1099420-C Substituted spiroheterocyclic 1H-3-arylpyrrolidine-2,4-dione derivatives, methods of preparing them and their use as pest-control agents BAYER AG (DE) 2003-01-22 CN disclosed
CN-1126475-A Substituted spiroheterocyclic 1H-3-arylpyrrolidine-2,4-dione derivatives, methods of preparing them and their use as pest-control agents BAYER AG (DE) 1996-07-10 CN disclosed