SCHEMBL2597126

SCHEMBL2597126

CS(=O)(=O)c1cc(F)c(NC2CCN(C3CCN(C(=O)OCc4ccccc4)CC3)C2=O)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.45
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
F13A1 P00488 2/20 0.44
TGM2 P21980 2/20 0.44
TGM1 P22735 2/20 0.44
HTT P42858 1/20 0.43
MMP1 P03956 1/20 0.42
MMP2 P08253 1/20 0.42
MMP3 P08254 1/20 0.42
MMP7 P09237 1/20 0.42
MMP9 P14780 1/20 0.42
MMP8 P22894 1/20 0.42
CYP2C19 P33261 1/20 0.42
PTGDR2 Q9Y5Y4 1/20 0.42
HDAC1 Q13547 1/20 0.41
HDAC6 Q9UBN7 1/20 0.41
TRPC3 Q13507 1/20 0.41
TRPC7 Q9HCX4 1/20 0.41
GRIN2B Q13224 3/20 0.41

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
SCHEMBL27918583 0.94 F13A1 (0.43) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL14918832 0.89 F13A1 (0.51) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL2597039 0.89 F13A1 (0.51) SMN1; SMN2NPC1RAB9AF13A1TGM2
Iodomethane SCHEMBL27928620 0.88 F13A1 (0.49) SMN1; SMN2NPC1RAB9AF13A1TGM2
Iodomethane SCHEMBL14917750 0.88 F13A1 (0.49) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL2597121 0.84 GPR119 (0.37) SMN1; SMN2CYP2C9GPR119
SCHEMBL27910902 0.81 GRIN2B (0.45) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL27928622 0.81 GRIN2B (0.45) SMN1; SMN2NPC1RAB9AF13A1TGM2
SCHEMBL2598372 0.78 GPR119 (0.49) CYP2C9GPR119STS
SCHEMBL2597117 0.78 FPR2 (0.35) HTTCYP2C9GPR119

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-2571864-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS Array Biopharma, Inc. (US) 2013-03-27 EP disclosed
WO-2011146335-A1 PIPERIDINYL-SUBSTITUTED LACTAMS AS GPR119 MODULATORS ARRAY BIOPHARMA INC. (US) 2011-11-24 WO disclosed