SCHEMBL469887

SCHEMBL469887

Bc1ccc(N2CCC(F)C2=O)nc1

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
ROCK2 O75116 8/20 0.33
TDO2 P48775 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ABL1 P00519 1/20 0.32
LMNA P02545 1/20 0.32
F10 P00742 2/20 0.32
GRM5 P41594 5/20 0.31
PER2 O15055 2/20 0.31
CNR2 P34972 1/20 0.30

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
SCHEMBL411138 0.82 GRIN2D (0.38) ROCK2TDO2KDM4E
SCHEMBL469807 0.70 CNR2 (0.52) CNR2
SCHEMBL10068626 0.69 GRM5 (0.41) GRM5
SCHEMBL13424162 0.69 IDH1 (0.38) GRM5
SCHEMBL19864946 0.68 ROCK2 (0.71) ROCK2
SCHEMBL46307 0.65 GPR119 (0.41) GRM5
SCHEMBL19341535 0.64 MAPT (0.51) LMNACNR2
SCHEMBL10281036 0.64 MAPT (0.47) KDM4ELMNACNR2
SCHEMBL16498267 0.64 GRIN2D (0.38) KDM4ELMNA
SCHEMBL1557357 0.64 AKR1C3 (0.41) KDM4EGRM5

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
WO-2012033952-A1 3 - PHENYL- 2 -OXO- 1, 3 -OXAZOLIDINES FOR TREATMENT OF BACTERIAL INFECTIONS MICURX PHARMACEUTICALS, INC. (KY) 2012-03-15 WO disclosed