SCHEMBL8714721

SCHEMBL8714721

CCN(C(=O)c1ccccc1N1CCC(C(=O)c2ccc(F)cc2)CC1)c1ccc(F)cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.53
TDP1 Q9NUW8 1/20 0.53
HSD11B1 P28845 7/20 0.50
KMT2A Q03164 2/20 0.48
LMNA P02545 1/20 0.48
ALDH1A1 P00352 1/20 0.46
BLM P54132 1/20 0.46
SLC18A3 Q16572 1/20 0.45
CYP2C19 P33261 1/20 0.45
MEN1 O00255 1/20 0.45
UBE2N P61088 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
NFKB1 P19838 1/20 0.45
THPO P40225 1/20 0.45
HIF1A Q16665 1/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
DRD2 P14416 1/20 0.45
HTR2A P28223 1/20 0.45

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
SCHEMBL8712536 0.97 HTT (0.53) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8714689 0.96 HSD11B1 (0.50) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8716870 0.95 MGLL (0.49) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8712324 0.93 HSD11B1 (0.53) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8715137 0.92 HSD11B1 (0.49) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8716899 0.91 HTT (0.49) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8714643 0.90 HSD11B1 (0.51) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8717776 0.89 HTT (0.47) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8717997 0.89 HTT (0.47) HTTTDP1HSD11B1KMT2ALMNA
SCHEMBL8718638 0.87 HTT (0.46) HTTTDP1HSD11B1KMT2ALMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5728835-A HYPOTENSIVE AGENTS; ANTIISCHEMIC AGENTS TOA EIYO, LTD. (JP) 1998-03-17 US disclosed