SCHEMBL8224883

SCHEMBL8224883

Cc1ccc(C2N(CC(=O)N(C)C)C(=O)C23CCN(C(=O)OC(C)(C)C)CC3)cc1

nearest known ligand 0.43

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR119 Q8TDV5 5/20 0.43
TP53 P04637 1/20 0.41
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
HRH3 Q9Y5N1 5/20 0.39
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38
NPC1L1 Q9UHC9 1/20 0.36
NPBWR1 P48145 1/20 0.36
MCHR1 Q99705 1/20 0.36
STAT3 P40763 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
SCHEMBL14263479 0.91 MEN1 (0.43) KMT2AMEN1SMN1; SMN2HRH3HDAC1
SCHEMBL8224879 0.91 HDAC1 (0.44) GPR119HDAC1HDAC6NPC1L1
SCHEMBL8227881 0.84 HDAC1 (0.55) GPR119KMT2AMEN1HDAC1HDAC6
SCHEMBL14263460 0.81 GPR119 (0.44) GPR119HDAC1HDAC6
SCHEMBL8208288 0.77 HDAC1 (0.47) GPR119HDAC1HDAC6
SCHEMBL8227841 0.76 TRPV1 (0.55) GPR119SMN1; SMN2NPC1L1
SCHEMBL8227883 0.75 CACNA1H (0.47) KMT2AMEN1SMN1; SMN2HDAC1HDAC6
SCHEMBL8218924 0.74 HDAC1 (0.47) GPR119HDAC1HDAC6
SCHEMBL8227850 0.74 HDAC1 (0.45) GPR119HDAC1HDAC6
SCHEMBL3985566 0.72 GPR119 (0.45) GPR119SMN1; SMN2HRH3HDAC1HDAC6

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-2008033460-A2 TREATING PAIN, DIABETES, AND LIPID METABOLISM DISORDERS SCHERING CORPORATION (US) 2008-03-20 WO disclosed