SCHEMBL4351624

SCHEMBL4351624

CS(=O)(=O)Nc1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 3/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
NPY2R P49146 1/20 0.42
CYP2C19 P33261 1/20 0.41
F13A1 P00488 3/20 0.41
TGM2 P21980 3/20 0.41
TGM1 P22735 3/20 0.41
HTT P42858 1/20 0.41
GPR119 Q8TDV5 1/20 0.41
TRPC3 Q13507 2/20 0.40
TRPC7 Q9HCX4 2/20 0.40
GRIN2B Q13224 2/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL4526460 0.91 SMN1; SMN2 (0.43) ENPP2SMN1; SMN2NPC1RAB9ANPY2R
SCHEMBL4533655 0.88 SMN1; SMN2 (0.47) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4355143 0.85 GPR119 (0.46) ENPP2SMN1; SMN2NPC1RAB9ANPY2R
SCHEMBL4536272 0.85 KMT2A (0.43) SMN1; SMN2NPC1RAB9ACYP2C19TGM2
SCHEMBL4352115 0.84 GPR119 (0.46) ENPP2SMN1; SMN2NPC1RAB9ANPY2R
SCHEMBL4347881 0.83 GPR119 (0.42) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4350023 0.83 SMN1; SMN2 (0.40) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL4533901 0.83 SMN1; SMN2 (0.39) SMN1; SMN2NPC1RAB9ACYP2C19F13A1
SCHEMBL4350085 0.82 SMN1; SMN2 (0.41) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4529914 0.82 SMN1; SMN2 (0.49) ENPP2SMN1; SMN2NPC1RAB9ACYP2C19

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed