SCHEMBL28657641

SCHEMBL28657641

Cc1cccc(C2CNC(=O)C(c3ccc(F)cc3)C2)c1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 2/20 0.41
PDE4D Q08499 2/20 0.40
SLC6A9 P48067 2/20 0.38
OPRM1 P35372 1/20 0.38
SLC6A2 P23975 2/20 0.37
SLC6A4 P31645 2/20 0.37
SLC6A3 Q01959 2/20 0.37
CYP2D6 P10635 1/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
PBRM1 Q86U86 1/20 0.36
MAOB P27338 1/20 0.36
MMP13 P45452 2/20 0.36
MMP1 P03956 1/20 0.36
TDP1 Q9NUW8 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35

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
SCHEMBL28657639 1.00 HTR2C (0.41) HTR2CPDE4DSLC6A9OPRM1SLC6A2
SCHEMBL28653229 0.84 MMP13 (0.40) SLC6A2SLC6A3MMP13MMP1TDP1
SCHEMBL28653227 0.84 MMP13 (0.40) SLC6A2SLC6A3MMP13MMP1TDP1
SCHEMBL28639874 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KMT2A
SCHEMBL28639875 0.81 SLC6A2 (0.39) SLC6A2SLC6A4SLC6A3CYP2D6KMT2A
SCHEMBL28645243 0.79 PDE4A (0.56) PDE4DKMT2A
SCHEMBL30823798 0.79 PDE4A (0.56) PDE4DKMT2A
SCHEMBL28927763 0.78 HTR2C (0.41) HTR2CMMP13MMP1
SCHEMBL28658157 0.77 MMP13 (0.46) MAOBMMP13MMP1TDP1
SCHEMBL28648500 0.77 SLC6A3 (0.45) SLC6A2SLC6A4SLC6A3MMP13MMP1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113461599-B Process for preparing piperidone compounds 南方科技大学 2024-02-09 CN disclosed
CN-113461599-A Process for producing piperidone compound 南方科技大学 2021-10-01 CN disclosed