SCHEMBL4038491

SCHEMBL4038491

CC(OC1CCN(C(=O)O)CC1)c1nc(-c2ccc([S+](C)[O-])c(F)c2)no1

nearest known ligand 0.62

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 17/20 0.62
NPY2R P49146 2/20 0.39
ALDH1A1 P00352 1/20 0.36
NPSR1 Q6W5P4 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
SCHEMBL4107450 0.90 GPR119 (0.77) GPR119
SCHEMBL10476608 0.89 GPR119 (0.49) GPR119NPY2R
SCHEMBL10476561 0.88 GPR119 (0.57) GPR119NPY2R
SCHEMBL4209310 0.86 GPR119 (0.81) GPR119
SCHEMBL10476590 0.86 GPR119 (0.81) GPR119
SCHEMBL10476569 0.85 GPR119 (0.61) GPR119NPY2R
SCHEMBL10476598 0.84 GPR119 (0.59) GPR119ALDH1A1NPSR1
SCHEMBL4100272 0.82 GPR119 (0.52) GPR119
SCHEMBL13696977 0.82 GPR119 (0.48) GPR119
SCHEMBL10476555 0.81 GPR119 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2013201-A1 HETEROCYCLIC GPCR AGONISTS Prosidion Limited (GB) 2009-01-14 EP disclosed
WO-2007116229-A1 HETEROCYCLIC GPCR AGONISTS PROSIDION LIMITED (GB) 2007-10-18 WO disclosed