SCHEMBL2455772

SCHEMBL2455772

CC(C)C1CC(Oc2ccn(-c3ccccn3)c(=O)c2)CCN1C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.41
HRH3 Q9Y5N1 2/20 0.39
MCHR1 Q99705 1/20 0.39
GPR6 P46095 1/20 0.36
CHRM2 P08172 1/20 0.36
LMNA P02545 2/20 0.35
MEN1 O00255 2/20 0.35
KMT2A Q03164 2/20 0.35
MAPT P10636 1/20 0.35
ALDH1A1 P00352 1/20 0.35
PKM P14618 1/20 0.35
SLC5A7 Q9GZV3 1/20 0.35
PABPC1 P11940 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
SCHEMBL2458838 0.85 GPR119 (0.46) GPR119HRH3MCHR1
SCHEMBL2452808 0.84 GPR119 (0.42) GPR119MCHR1ALDH1A1
SCHEMBL2454882 0.81 GPR119 (0.51) GPR119HRH3MCHR1CHRM2KMT2A
SCHEMBL2456911 0.81 GPR119 (0.44) GPR119MCHR1GPR6
SCHEMBL2452245 0.81 GPR119 (0.48) GPR119HRH3MCHR1
SCHEMBL2452869 0.80 GPR119 (0.45) GPR119MCHR1MAPT
SCHEMBL2453891 0.80 GPR119 (0.47) GPR119MCHR1
SCHEMBL2450627 0.79 GPR119 (0.51) GPR119HRH3MCHR1
SCHEMBL2452397 0.79 GPR119 (0.64) GPR119MCHR1
SCHEMBL2452652 0.79 GPR119 (0.41) GPR119MCHR1GPR6

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