SCHEMBL2454882

SCHEMBL2454882

O=C(O)N1CCC(Oc2ccn(-c3ccccn3)c(=O)c2)CC1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 11/20 0.51
MCHR1 Q99705 1/20 0.42
HRH3 Q9Y5N1 2/20 0.41
CHRM2 P08172 1/20 0.40
SCD5 Q86SK9 1/20 0.40
EPHX2 P34913 2/20 0.39
KDM4E B2RXH2 1/20 0.39
NPC1 O15118 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HSD17B10 Q99714 1/20 0.39

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
SCHEMBL2453774 0.86 GPR119 (0.46) GPR119EPHX2ALDH1A1
SCHEMBL2339452 0.86 GPR119 (0.64) GPR119HRH3
SCHEMBL2455123 0.82 GPR119 (0.54) GPR119MCHR1EPHX2
SCHEMBL2455772 0.81 GPR119 (0.41) GPR119MCHR1HRH3CHRM2ALDH1A1
SCHEMBL2453004 0.81 GPR119 (0.52) GPR119MCHR1EPHX2ALDH1A1
SCHEMBL4332781 0.81 GPR119 (0.51) GPR119HRH3
SCHEMBL2455221 0.79 GPR119 (0.51) GPR119MCHR1EPHX2
SCHEMBL2450082 0.77 GPR119 (0.56) GPR119MCHR1EPHX2KDM4EALDH1A1
SCHEMBL2456600 0.76 GPR119 (0.58) GPR119MCHR1HRH3EPHX2
SCHEMBL2453856 0.76 GPR119 (0.56) GPR119MCHR1EPHX2

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