SCHEMBL4352115

SCHEMBL4352115

CCN(CC)C(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)OCc4ccccc4)CC2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 3/20 0.46
NPY2R P49146 2/20 0.42
SMN1; SMN2 Q16637 3/20 0.41
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
CYP2C19 P33261 1/20 0.40
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ENPP2 Q13822 1/20 0.39
PPARG P37231 1/20 0.38
TRPC3 Q13507 2/20 0.38
TRPC7 Q9HCX4 2/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
HTT P42858 1/20 0.38
CYP2D6 P10635 1/20 0.37
CYP2C9 P11712 1/20 0.37
GRIN2B Q13224 1/20 0.37

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
SCHEMBL4355143 0.92 GPR119 (0.46) GPR119NPY2RSMN1; SMN2NPC1RAB9A
SCHEMBL4533655 0.88 SMN1; SMN2 (0.47) GPR119SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4536272 0.86 KMT2A (0.43) GPR119SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4526460 0.85 SMN1; SMN2 (0.43) NPY2RSMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4350085 0.84 SMN1; SMN2 (0.41) GPR119SMN1; SMN2NPC1RAB9ACYP2C19
SCHEMBL4351624 0.84 ENPP2 (0.44) GPR119NPY2RSMN1; SMN2NPC1RAB9A
SCHEMBL4360439 0.82 TSHR (0.44) GPR119ALDH1A1MAPTHPGDMEN1
SCHEMBL4529914 0.80 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9ACYP2C19ALDH1A1
SCHEMBL4534565 0.79 KDM4E (0.40) GPR119SMN1; SMN2ALDH1A1MAPTHPGD
SCHEMBL4531625 0.78 ALDH1A1 (0.40) SMN1; SMN2ALDH1A1MAPTNPSR1

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