SCHEMBL28645237

SCHEMBL28645237

COc1ccc(C2CNC(=O)C(c3ccc(F)cc3)C2)cc1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FPR1 P21462 2/20 0.48
FPR2 P25090 2/20 0.48
MMP13 P45452 3/20 0.45
MMP1 P03956 2/20 0.45
DDB1 Q16531 1/20 0.45
CRBN Q96SW2 1/20 0.45
MMP2 P08253 2/20 0.43
MMP3 P08254 1/20 0.43
MMP9 P14780 1/20 0.43
MEN1 O00255 1/20 0.41
HTR7 P34969 1/20 0.41
KMT2A Q03164 1/20 0.41
GFER P55789 1/20 0.41
TSHR P16473 1/20 0.41
HSD11B1 P28845 1/20 0.40
SLC6A9 P48067 1/20 0.40
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAOB P27338 4/20 0.38

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
SCHEMBL28645234 1.00 FPR1 (0.48) FPR1FPR2MMP13MMP1DDB1
SCHEMBL28645245 0.83 PDE4A (0.56) KMT2AKDM4EALDH1A1
SCHEMBL30823798 0.83 PDE4A (0.56) KMT2AKDM4EALDH1A1
SCHEMBL28645243 0.83 PDE4A (0.56) KMT2AKDM4EALDH1A1
SCHEMBL28653229 0.83 MMP13 (0.40) MMP13MMP1DDB1CRBNMMP2
SCHEMBL28653227 0.83 MMP13 (0.40) MMP13MMP1DDB1CRBNMMP2
SCHEMBL28648497 0.82 SLC6A3 (0.45) MMP13MMP1MMP2MMP3MMP9
SCHEMBL28648500 0.82 SLC6A3 (0.45) MMP13MMP1MMP2MMP3MMP9
SCHEMBL28661891 0.81 ADRB2 (0.41) MMP13MMP1MMP2MMP3MMP9
SCHEMBL30823802 0.81 MMP13 (0.37) MMP13MMP1DDB1CRBNMMP2

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