SCHEMBL2452652

SCHEMBL2452652

CC(C)C1CC(Oc2ccn(-c3cccc(C#N)c3)c(=O)c2)CCN1C(=O)O

nearest known ligand 0.48

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 6/20 0.41
NOTUM Q6P988 1/20 0.38
MGLL Q99685 2/20 0.37
MCHR1 Q99705 1/20 0.36
GPR6 P46095 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36

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
SCHEMBL2450627 0.90 GPR119 (0.51) GPR119MCHR1
SCHEMBL2456911 0.87 GPR119 (0.44) GPR119MCHR1GPR6
SCHEMBL2454637 0.84 GPR119 (0.52) GPR119
SCHEMBL2452808 0.83 GPR119 (0.42) GPR119MCHR1
SCHEMBL2454389 0.82 GPR119 (0.49) GPR119NOTUMMGLL
SCHEMBL2452245 0.82 GPR119 (0.48) GPR119MCHR1
SCHEMBL2458838 0.82 GPR119 (0.46) GPR119MCHR1
SCHEMBL2453891 0.80 GPR119 (0.47) GPR119MCHR1
SCHEMBL2335748 0.79 GPR119 (0.64) GPR119MGLL
SCHEMBL2452397 0.79 GPR119 (0.64) GPR119MCHR1

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-2170864-B1 PYRIDONE GPR119 G PROTEIN-COUPLED RECEPTOR AGONISTS BRISTOL MYERS SQUIBB CO (US) 2011-09-14 EP claimed