SCHEMBL8713776

SCHEMBL8713776

CCN(c1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(OC)cc1N1CCC(C(=O)c2ccc(F)cc2)CC1

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 8/20 0.45
DRD2 P14416 1/20 0.44
HTR2A P28223 1/20 0.44
HTR2C P28335 1/20 0.44
LMNA P02545 3/20 0.43
ALDH1A1 P00352 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
HTT P42858 1/20 0.43
CYP2C19 P33261 2/20 0.40
CYP1A2 P05177 1/20 0.40
GAA P10253 1/20 0.40
CYP2C9 P11712 1/20 0.40
KMT2A Q03164 1/20 0.40
GLA P06280 1/20 0.39
MAPK1 P28482 1/20 0.39
CYP2D6 P10635 1/20 0.38
PRKAA2 P54646 1/20 0.38
RORC P51449 1/20 0.38
HSD17B10 Q99714 1/20 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
SCHEMBL8714652 0.85 HSD11B1 (0.52) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8712047 0.83 HSD11B1 (0.48) HSD11B1DRD2HTR2AHTR2CLMNA
Oxalic Acid SCHEMBL8711100 0.83 HSD11B1 (0.50) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8711712 0.83 HSD11B1 (0.46) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8712265 0.82 HSD11B1 (0.45) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8713779 0.81 HSD11B1 (0.45) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8714834 0.81 HSD11B1 (0.46) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL8711959 0.78 RXFP1 (0.42) HSD11B1DRD2HTR2AHTR2CLMNA
SCHEMBL9228225 0.77 ALDH1A1 (0.47) HSD11B1DRD2HTR2AHTR2CLMNA
Oxalic Acid SCHEMBL9231955 0.75 ALDH1A1 (0.45) HSD11B1DRD2HTR2ALMNAALDH1A1

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