SCHEMBL28664431

SCHEMBL28664431

CC1(C)NC(=O)C(c2ccccc2F)CC1c1ccc(F)cc1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
SLC6A9 P48067 1/20 0.37
ALDH1A1 P00352 2/20 0.37
TDP1 Q9NUW8 1/20 0.36
HTR2A P28223 4/20 0.35
HTR2C P28335 4/20 0.35
HTR2B P41595 4/20 0.35
HRH3 Q9Y5N1 4/20 0.35
LMNA P02545 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
SCHEMBL28664428 1.00 MEN1 (0.38) MEN1KMT2ASLC6A9ALDH1A1TDP1
SCHEMBL28650427 0.85 TDP1 (0.39) SLC6A9TDP1
SCHEMBL28650428 0.85 TDP1 (0.39) SLC6A9TDP1
SCHEMBL30823804 0.85 TDP1 (0.42) ALDH1A1TDP1LMNA
SCHEMBL28645524 0.77 SLC6A9 (0.41) MEN1KMT2ASLC6A9TDP1
SCHEMBL28661976 0.77 DDB1 (0.46) MEN1KMT2ASLC6A9ALDH1A1
SCHEMBL28661979 0.77 DDB1 (0.46) MEN1KMT2ASLC6A9ALDH1A1
SCHEMBL28645523 0.77 SLC6A9 (0.41) MEN1KMT2ASLC6A9TDP1
SCHEMBL28639815 0.75 DDB1 (0.49) MEN1KMT2ASLC6A9ALDH1A1
SCHEMBL28639814 0.75 DDB1 (0.49) MEN1KMT2ASLC6A9ALDH1A1

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