SCHEMBL28064270

SCHEMBL28064270

O=CC1C2CN(S(=O)(=O)c3ccccc3)CC2CCN1c1ccc(OCC(F)(F)F)cc1

nearest known ligand 0.64

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
LIPE Q05469 15/20 0.64
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
ALDH1A1 P00352 1/20 0.36
EPHX2 P34913 1/20 0.36

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
SCHEMBL28064277 0.88 LIPE (0.67) LIPEMEN1KMT2A
SCHEMBL28064359 0.86 LIPE (0.69) LIPE
SCHEMBL28827931 0.82 LIPE (0.47) LIPE
SCHEMBL28064213 0.79 LIPE (0.65) LIPEALDH1A1
SCHEMBL13836261 0.78 LIPE (1.00) LIPE
SCHEMBL13836375 0.78 LIPE (1.00) LIPE
SCHEMBL28064215 0.76 LIPE (0.42) LIPE
SCHEMBL28064278 0.75 LIPE (0.65) LIPE
SCHEMBL28064214 0.73 LIPE (0.68) LIPEMEN1KMT2AALDH1A1
SCHEMBL27939002 0.70 LIPE (0.52) LIPE

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
CN-103562180-B Novel six hydrogen cyclopenta pyrrolidone, hexahydropyrrolo pyrrolidone, octahydro pyrrolopyridinone and octahydro pyridinone compounds HOFFMAN-LA ROCHE LTD. (CH) 2016-04-20 CN disclosed