SCHEMBL28708992

SCHEMBL28708992

CCN1CCN(c2cc[c]c(C(F)(F)F)c2)CC1

nearest known ligand 0.47

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CHRNA7 P36544 1/20 0.46
GAA P10253 3/20 0.46
RAD52 P43351 3/20 0.46
SMN1; SMN2 Q16637 2/20 0.44
MAPT P10636 2/20 0.44
GFER P55789 2/20 0.44
KDM4E B2RXH2 1/20 0.44
KHK P50053 2/20 0.37
SIGMAR1 Q99720 1/20 0.36
SYK P43405 1/20 0.36
DRD3 P35462 3/20 0.36
HRH3 Q9Y5N1 2/20 0.36
HSD11B1 P28845 1/20 0.36
MET P08581 1/20 0.36
ALDH1A1 P00352 1/20 0.36
DRD2 P14416 3/20 0.35
TSHR P16473 1/20 0.35
HTR6 P50406 2/20 0.35
KDM2B Q8NHM5 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
SCHEMBL28698178 0.89 DRD2 (0.49) GAASMN1; SMN2KDM4ESIGMAR1DRD3
SCHEMBL28689807 0.86 AR (0.38) SMN1; SMN2MAPTKDM4ESIGMAR1ALDH1A1
SCHEMBL28685736 0.85 IGF1R (0.38) GAASMN1; SMN2MAPTGFERKDM4E
SCHEMBL28701655 0.83 SIRT6 (0.46) GAASMN1; SMN2MAPTGFERKDM4E
SCHEMBL1459581 0.81 AR (0.39) GAASMN1; SMN2MAPTKDM4ESIGMAR1
SCHEMBL28701674 0.81 CTSS (0.34) SMN1; SMN2MAPTSIGMAR1ALDH1A1TSHR
SCHEMBL1899182 0.80 PDK2 (0.39) GAASMN1; SMN2MAPTKDM4ESIGMAR1
SCHEMBL28685696 0.79 MAPT (0.44) SMN1; SMN2MAPTKDM4EKHKHRH3
SCHEMBL17728862 0.77 GAA (0.56) CHRNA7GAARAD52SMN1; SMN2MAPT
SCHEMBL27993852 0.77 LMNA (0.42) SMN1; SMN2MAPTKDM4EALDH1A1TSHR

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-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN claimed
CN-114127065-A Compounds for the treatment of neurodegenerative diseases and cancer 鸿仪有限责任公司 2022-03-01 CN disclosed