SCHEMBL4540400

SCHEMBL4540400

C=C(C)CNC(=O)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.34
KCNH2 Q12809 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
THRA P10827 2/20 0.33
HTR1A P08908 1/20 0.33
SLC6A4 P31645 1/20 0.33
HRH1 P35367 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
VDR P11473 1/20 0.33
USP5 P45974 4/20 0.33
KDM4E B2RXH2 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
NPY2R P49146 1/20 0.33
NAMPT P43490 1/20 0.32
THRB P10828 1/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL13586356 0.92 PTPN2 (0.41) GPR119SMN1; SMN2HTR1AMEN1KMT2A
SCHEMBL4352059 0.90 P2RY12 (0.41) GPR119SMN1; SMN2KDM4E
SCHEMBL4538002 0.89 NPY2R (0.42) GPR119SMN1; SMN2KCNH2HRH3HTR1A
SCHEMBL4352809 0.88 GPR119 (0.46) GPR119KDM4EKMT2A
SCHEMBL4538200 0.87 POLB (0.42) SMN1; SMN2HRH3CD274KDM4EMEN1
SCHEMBL4533473 0.86 LMNA (0.40) SLC6A4CD274NAMPT
SCHEMBL4534161 0.86 SCD5 (0.41) GPR119SMN1; SMN2KCNH2HRH3NPY2R
SCHEMBL4540129 0.86 ALDH1A1 (0.43) SMN1; SMN2CD274NAMPTMEN1KMT2A
SCHEMBL4350134 0.85 CD274 (0.36) HRH3SLC6A4CD274KDM4ENAMPT
SCHEMBL4360517 0.85 NAMPT (0.41) GPR119CD274NPY2RNAMPT

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