SCHEMBL4534161

SCHEMBL4534161

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

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
SCD5 Q86SK9 3/20 0.41
SCD O00767 1/20 0.41
NPY2R P49146 1/20 0.39
KCNH2 Q12809 2/20 0.37
HRH3 Q9Y5N1 2/20 0.37
CRBN Q96SW2 1/20 0.37
ALDH1A1 P00352 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.35
PRF1 P14222 1/20 0.35
OTUD7B Q6GQQ9 2/20 0.35
GPR119 Q8TDV5 1/20 0.34
SLC9A1 P19634 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53BP1 Q12888 1/20 0.33

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
SCHEMBL13586060 0.91 SMN1; SMN2 (0.47) SCD5SCDNPY2RALDH1A1SMN1; SMN2
SCHEMBL4538002 0.89 NPY2R (0.42) NPY2RKCNH2HRH3SMN1; SMN2KMT2A
SCHEMBL4533472 0.89 KMT2A (0.44) KCNH2HRH3SMN1; SMN2KMT2A
SCHEMBL4531625 0.88 ALDH1A1 (0.40) SCD5SCDKCNH2HRH3ALDH1A1
SCHEMBL4353589 0.87 PTPN2 (0.48) KMT2AGPR119
SCHEMBL4535866 0.87 GPR119 (0.36) HRH3SMN1; SMN2USP30GPR119SLC9A1
SCHEMBL4533473 0.87 LMNA (0.40) CYP11B2
SCHEMBL4540129 0.86 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2KMT2A
SCHEMBL4531783 0.86 ABL1 (0.34) SCD5SCDNPY2RHRH3KMT2A
SCHEMBL4540400 0.86 GPR119 (0.35) NPY2RKCNH2HRH3SMN1; SMN2KMT2A

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