SCHEMBL6676867

SCHEMBL6676867

CC(C)(C)OC(=O)N(Cc1cc(NC(N)=S)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CETP P11597 6/20 0.40
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.37
GRM2 Q14416 1/20 0.37
KIF11 P52732 1/20 0.36
CACNA1G O43497 1/20 0.36
CACNA1B Q00975 1/20 0.36
CACNA1C Q13936 1/20 0.36
ALDH1A1 P00352 2/20 0.36
SLC13A3 Q8WWT9 1/20 0.36
GPR35 Q9HC97 1/20 0.35
GAA P10253 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
ACP1 P24666 1/20 0.34
MYC P01106 1/20 0.34
MAX P61244 1/20 0.34

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
SCHEMBL6680557 0.85 CYP1A2 (0.38) MAPTGRM2ALDH1A1GAA
SCHEMBL27494437 0.83 LMNA (0.46) LMNAMAPTKIF11ALDH1A1SLC13A3
SCHEMBL7243748 0.82 CETP (0.36) CETPLMNAMAPTGRM2CACNA1G
SCHEMBL6677790 0.80 ALDH1A1 (0.47) GRM2ALDH1A1
SCHEMBL7243745 0.80 CETP (0.38) CETPLMNAMAPTCACNA1GCACNA1B
SCHEMBL6678261 0.79 CETP (0.43) CETPGRM2CACNA1GCACNA1BCACNA1C
SCHEMBL6681804 0.74 GRM2 (0.38) MAPTGRM2ALDH1A1GAA
SCHEMBL6678474 0.73 ALDH1A1 (0.39) MAPTGRM2ALDH1A1GAA
SCHEMBL6677408 0.73 CETP (0.42) CETPGRM2CACNA1GCACNA1BCACNA1C
SCHEMBL6675695 0.73 ALDH1A1 (0.39) MAPTGRM2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
US-6534546-B1 Guanidine- or isothioureido-N-derived anilines; brain, nervous system, and neurodegenerative disorders CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2003-03-18 US disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed