SCHEMBL4048443

SCHEMBL4048443

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCNCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
PLAT P00750 1/20 0.37
KDM1A O60341 1/20 0.36
PTGS2 P35354 6/20 0.36
PTGS1 P23219 4/20 0.36
FAAH O00519 1/20 0.36
ATR Q13535 1/20 0.35
KCNH2 Q12809 1/20 0.35
IKBKB O14920 1/20 0.35
CHUK O15111 1/20 0.35
GPR119 Q8TDV5 1/20 0.34
NOS3 P29474 1/20 0.34
NOS1 P29475 1/20 0.34
NOS2 P35228 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
SCHEMBL3983476 0.86 PLAT (0.39) PLATKDM1APTGS2PTGS1FAAH
SCHEMBL5079994 0.84 RORC (0.41) RORCPLATFAAHKCNH2GPR119
SCHEMBL5084438 0.83 PLAT (0.36) PLATPTGS2PTGS1KCNH2IKBKB
SCHEMBL13690331 0.82 NPC1 (0.41) ATRNOS3NOS1NOS2
SCHEMBL4060086 0.82 RORC (0.46) RORCATRGPR119
SCHEMBL4053567 0.79 GPR119 (0.47) RORCGPR119
SCHEMBL4048433 0.79 RORC (0.41) RORCPLATKDM1APTGS2PTGS1
SCHEMBL4387698 0.78 RORC (0.47) RORCATRGPR119
SCHEMBL4048482 0.78 GPR119 (0.56) RORCGPR119
SCHEMBL4056917 0.76 NPY2R (0.48) RORCGPR119

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