SCHEMBL319557

SCHEMBL319557

CC(C)(C)OC(=O)N1CCC2(CC(C#C[Si](C)(C)C)=NO2)C1

nearest known ligand 0.43

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.43
USP2 O75604 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
SCD5 Q86SK9 1/20 0.37
CYP11B2 P19099 1/20 0.36
GPR183 P32249 1/20 0.36
GRM5 P41594 1/20 0.34
ATM Q13315 1/20 0.34
ACACB O00763 4/20 0.34
USP30 Q70CQ3 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
SCHEMBL15673630 0.94 GPR119 (0.48) GPR119USP2SMN1; SMN2SCD5GPR183
SCHEMBL15673657 0.91 USP2 (0.38) GPR119USP2SMN1; SMN2GPR183GRM5
SCHEMBL15673214 0.84 SCD5 (0.44) GPR119SCD5CYP11B2GPR183ATM
SCHEMBL138482 0.83
SCHEMBL326350 0.82 GRM5 (0.54) GPR119SCD5CYP11B2GPR183GRM5
SCHEMBL320350 0.80 GPR119 (0.42) GPR119SCD5CYP11B2GPR183GRM5
SCHEMBL12050570 0.80 GPR119 (0.45) GPR119USP2SMN1; SMN2SCD5CYP11B2
SCHEMBL12901472 0.80 GPR119 (0.45) GPR119USP2SMN1; SMN2SCD5CYP11B2
SCHEMBL12901473 0.80 GPR119 (0.45) GPR119USP2SMN1; SMN2SCD5CYP11B2
SCHEMBL12901445 0.80 GPR119 (0.45) GPR119USP2SMN1; SMN2SCD5CYP11B2

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
EP-2590985-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS Recordati Ireland Limited (IE) 2013-05-15 EP disclosed
WO-2012004400-A1 NOVEL SPIROHETEROCYCLIC COMPOUNDS AS MGLU5 ANTAGONISTS RECORDATI IRELAND LIMITED (IE) 2012-01-12 WO disclosed