SCHEMBL4056917

SCHEMBL4056917

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCN(C(=O)Oc2ccccc2)CC1

nearest known ligand 0.48

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NPY2R P49146 4/20 0.48
GPR119 Q8TDV5 13/20 0.45
RORC P51449 1/20 0.45
GAA P10253 1/20 0.42
CPT2 P23786 1/20 0.40
CPT1A P50416 1/20 0.40
CPT1B Q92523 1/20 0.40

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
SCHEMBL4058099 0.88 RORC (0.47) GPR119RORC
SCHEMBL3982174 0.88 GPR119 (0.49) NPY2RGPR119GAACPT2CPT1A
SCHEMBL4053567 0.88 GPR119 (0.47) GPR119RORC
SCHEMBL4060086 0.87 RORC (0.46) GPR119RORCCPT2CPT1ACPT1B
SCHEMBL13690470 0.87 GAA (0.43) NPY2RGPR119GAA
SCHEMBL4387698 0.87 RORC (0.47) GPR119RORC
SCHEMBL4048482 0.86 GPR119 (0.56) GPR119RORC
SCHEMBL4057316 0.84 GPR119 (0.58) GPR119RORC
SCHEMBL4049314 0.84 GPR119 (0.49) GPR119RORC
SCHEMBL4561845 0.84 GPR119 (0.50) GPR119RORC

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
WO-2009106561-A1 PYRAZINE COMPOUNDS FOR TREATING GPR119 RELATED DISORDERS BIOVITRUM AB (PUBL) (SE) 2009-09-03 WO disclosed