SCHEMBL4533472

SCHEMBL4533472

O=C(NC1CC1)c1ccc(-c2ccc3c(c2)COC(C2CCN(C(=O)O)CC2)O3)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
MEN1 O00255 5/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SMYD3 Q9H7B4 2/20 0.41
KCNH2 Q12809 3/20 0.40
HRH3 Q9Y5N1 3/20 0.40
HTR1A P08908 1/20 0.38
SLC6A4 P31645 1/20 0.38
HRH1 P35367 1/20 0.38
DRD2 P14416 2/20 0.38
HTR2A P28223 2/20 0.38
DRD3 P35462 2/20 0.38
GAA P10253 1/20 0.37
BMPR1B O00238 1/20 0.37
BMPR1A P36894 1/20 0.37
ACVRL1 P37023 1/20 0.37
ACVR1 Q04771 1/20 0.37
CTSL P07711 1/20 0.36

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
SCHEMBL13586061 0.91 MEN1 (0.49) KMT2AMEN1NPC1RAB9ASMN1; SMN2
SCHEMBL4534161 0.89 SCD5 (0.41) KMT2ASMN1; SMN2KCNH2HRH3
SCHEMBL4533473 0.88 LMNA (0.40) SLC6A4GAA
SCHEMBL4356877 0.87 ALDH1A1 (0.45) NPC1RAB9ASMN1; SMN2
SCHEMBL4538002 0.87 NPY2R (0.42) KMT2AMEN1SMN1; SMN2KCNH2HRH3
SCHEMBL4356930 0.86 HDAC4 (0.50) KMT2A
SCHEMBL4361277 0.86 MAPK14 (0.40) SLC6A4DRD2DRD3
SCHEMBL4535866 0.86 GPR119 (0.36) SMN1; SMN2HRH3
SCHEMBL4540129 0.85 ALDH1A1 (0.43) KMT2AMEN1SMN1; SMN2DRD2DRD3
SCHEMBL4350134 0.85 CD274 (0.36) RAB9AHRH3SLC6A4

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