SCHEMBL6678261

SCHEMBL6678261

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CETP P11597 7/20 0.43
CACNA1G O43497 1/20 0.41
CACNA1B Q00975 1/20 0.41
CACNA1C Q13936 1/20 0.41
GRM2 Q14416 1/20 0.39
TACR1 P25103 8/20 0.38
IDO1 P14902 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
SCHEMBL545966 0.88 CACNA1G (0.50) CETPCACNA1GCACNA1BCACNA1CTACR1
SCHEMBL6681863 0.82 GRM2 (0.39) GRM2
SCHEMBL27385426 0.80 TACR1 (0.42) TACR1IDO1
SCHEMBL6677408 0.80 CETP (0.42) CETPCACNA1GCACNA1BCACNA1CGRM2
SCHEMBL6676867 0.79 CETP (0.40) CETPCACNA1GCACNA1BCACNA1CGRM2
SCHEMBL2935441 0.77 CACNA1G (0.55) CETPCACNA1GCACNA1BCACNA1CTACR1
SCHEMBL7247305 0.76 GRM2 (0.43) GRM2
SCHEMBL31609076 0.76 CACNA1B (0.38) CETPCACNA1GCACNA1BCACNA1CTACR1
SCHEMBL10200705 0.76 CACNA1H (0.49) CACNA1BCACNA1CGRM2TACR1
SCHEMBL7944783 0.75 GRM2 (0.44) GRM2

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