SCHEMBL4058099

SCHEMBL4058099

CN(Cc1cnc(-c2ccc(S(C)(=O)=O)cc2)cn1)C1CCN(C(=O)OCc2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 1/20 0.47
GPR119 Q8TDV5 8/20 0.46
SMN1; SMN2 Q16637 3/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP2C19 P33261 1/20 0.42
GRIN2B Q13224 4/20 0.41
TRPC3 Q13507 2/20 0.41
TRPC7 Q9HCX4 2/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MMP1 P03956 1/20 0.40
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
MMP7 P09237 1/20 0.40
MMP9 P14780 1/20 0.40
MMP8 P22894 1/20 0.40
F13A1 P00488 1/20 0.40
TGM2 P21980 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
SCHEMBL4053567 0.90 GPR119 (0.47) RORCGPR119SMN1; SMN2RAB9AMMP1
SCHEMBL3982586 0.89 GPR119 (0.50) RORCGPR119SMN1; SMN2NPC1RAB9A
SCHEMBL4056917 0.88 NPY2R (0.48) RORCGPR119
SCHEMBL4057316 0.86 GPR119 (0.58) RORCGPR119
SCHEMBL4049314 0.86 GPR119 (0.49) RORCGPR119
SCHEMBL4060086 0.86 RORC (0.46) RORCGPR119
SCHEMBL4059095 0.85 SMN1; SMN2 (0.45) RORCGPR119SMN1; SMN2NPC1RAB9A
SCHEMBL4387698 0.85 RORC (0.47) RORCGPR119SMN1; SMN2
SCHEMBL4048482 0.84 GPR119 (0.56) RORCGPR119
SCHEMBL4561845 0.83 GPR119 (0.50) 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 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