SCHEMBL22491546

SCHEMBL22491546

CC(C)(C)OC(=O)N1CCC([C@@H](c2ccccc2)c2ccc(S(C)(=O)=O)cc2)CC1

nearest known ligand 0.59

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.59
MMP13 P45452 2/20 0.51

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
SCHEMBL22773313 1.00 GPR119 (0.59) GPR119MMP13
SCHEMBL24621773 0.89 GPR119 (0.60) GPR119MMP13
SCHEMBL4236812 0.85 GPR119 (0.63) GPR119MMP13
SCHEMBL22773285 0.85 NPY2R (0.46)
SCHEMBL23212010 0.83 GPR119 (0.56) GPR119MMP13
SCHEMBL30567962 0.83 GPR119 (0.56) GPR119MMP13
SCHEMBL21382279 0.79 GPR119 (0.55) GPR119
SCHEMBL23211967 0.79 GPR119 (0.55) GPR119
SCHEMBL30567978 0.79 GPR119 (0.55) GPR119
SCHEMBL30330234 0.79 GPR119 (0.55) GPR119

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
EP-3717477-A1 NEW HETEROCYCLIC COMPOUNDS H. Hoffnabb-La Roche Ag (CH) 2020-10-07 EP disclosed