SCHEMBL7960720

SCHEMBL7960720

O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCC(O)C1

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 1/20 0.58
GAA P10253 3/20 0.56
HPGD P15428 1/20 0.56
HTT P42858 1/20 0.56
PKM P14618 1/20 0.53
PKLR P30613 1/20 0.53
LMNA P02545 3/20 0.53
L3MBTL1 Q9Y468 1/20 0.52
SMN1; SMN2 Q16637 2/20 0.51
KMT2A Q03164 1/20 0.49
HSD11B1 P28845 1/20 0.49
KDM4E B2RXH2 1/20 0.49

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
SCHEMBL7951221 1.00 CNR1 (0.58) CNR1GAAHPGDHTTPKM
SCHEMBL7951411 1.00 CNR1 (0.58) CNR1GAAHPGDHTTPKM
SCHEMBL1676973 0.92 CNR1 (0.63) CNR1GAAHPGDHTTPKM
SCHEMBL7943392 0.87 CNR1 (0.47) CNR1GAAHPGDHTTPKM
SCHEMBL7950127 0.87 CNR1 (0.47) CNR1GAAHPGDHTTPKM
SCHEMBL12727845 0.84 GAA (0.56) CNR1GAAHPGDHTTPKM
SCHEMBL18726870 0.81 ALDH1A1 (0.63) CNR1GAAHPGDHTTPKM
SCHEMBL12727839 0.81 HTT (0.62) CNR1GAAHPGDHTTPKM
SCHEMBL1677096 0.81 TP53 (0.55) CNR1GAAHPGDHTTPKM
SCHEMBL14699675 0.81 KMT2A (0.56) CNR1GAAHPGDHTTPKM

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-2009151152-A1 OXYCARBAMOYL COMPOUNDS AND THE USE THEREOF SHIONOGI & CO., LTD. (JP) 2009-12-17 WO disclosed