SCHEMBL28023734

SCHEMBL28023734

NCc1ccc(N2CC(c3ccccc3)OC2=O)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
FADS1 O60427 6/20 0.60
ROCK2 O75116 1/20 0.55
ROCK1 Q13464 1/20 0.55
HTR6 P50406 3/20 0.54
GRM2 Q14416 7/20 0.49
HSD11B1 P28845 2/20 0.45

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
SCHEMBL9016279 0.85 FADS1 (0.79) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL5785493 0.81 FADS1 (0.65) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7775135 0.81 FADS1 (0.65) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7775283 0.81 FADS1 (0.65) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7775406 0.80 GRM2 (0.56) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL7776725 0.78 FADS1 (0.60) FADS1ROCK2ROCK1HTR6GRM2
SCHEMBL28767300 0.77 F10 (0.63) GRM2
SCHEMBL7461978 0.76 MAOA (0.44) GRM2
SCHEMBL7807351 0.74 FADS1 (0.55) FADS1ROCK2ROCK1HTR6HSD11B1
SCHEMBL1268405 0.73 HTR6 (0.55) FADS1ROCK2ROCK1HTR6GRM2

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-104797614-A Process for preparing oxazolidinone compounds BAYER MATERIALSCIENCE AG 2015-07-22 CN disclosed