SCHEMBL28657646

SCHEMBL28657646

CC(C)(C)c1ccc(C2CNC(=O)C(c3ccc(C(F)(F)F)cc3)C2)cc1

nearest known ligand 0.41

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 3/20 0.41
NAAA Q02083 2/20 0.40
TP53 P04637 1/20 0.36
TACR1 P25103 1/20 0.36
KCNH2 Q12809 1/20 0.36
PARP1 P09874 1/20 0.36
PARP2 Q9UGN5 1/20 0.36
ESR1 P03372 1/20 0.35
GPBAR1 Q8TDU6 1/20 0.35
TRPV1 Q8NER1 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
SCHEMBL28657643 1.00 HTR2C (0.41) HTR2CNAAATP53TACR1KCNH2
SCHEMBL28658169 0.89 NAAA (0.40) NAAATP53TACR1KCNH2
SCHEMBL28658170 0.89 NAAA (0.40) NAAATP53TACR1KCNH2
SCHEMBL11663631 0.73 DDB1 (0.43)
SCHEMBL28653229 0.71 MMP13 (0.40)
SCHEMBL28653227 0.71 MMP13 (0.40)
SCHEMBL28648497 0.70 SLC6A3 (0.45)
SCHEMBL28648500 0.70 SLC6A3 (0.45)
SCHEMBL28661893 0.70 ADRB2 (0.41) NAAATP53TACR1KCNH2
SCHEMBL28645234 0.70 FPR1 (0.48)

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