SCHEMBL6676366

SCHEMBL6676366

CCNc1ccc(N(S)C(N)=O)cc1CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.33
KDM4E B2RXH2 1/20 0.32
ALDH1A1 P00352 1/20 0.32
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
THRB P10828 1/20 0.32
HPGD P15428 1/20 0.32
HTT P42858 1/20 0.32
GFER P55789 1/20 0.32
PLEC Q15149 1/20 0.32
KCNQ4 P56696 3/20 0.31
KCNQ5 Q9NR82 3/20 0.31
AAK1 Q2M2I8 1/20 0.31

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
SCHEMBL6676388 0.89 GRM2 (0.34) GRM2KCNQ4KCNQ5AAK1
SCHEMBL6675700 0.87 GRM2 (0.35) GRM2KDM4EMAPT
SCHEMBL6677564 0.86 CA12 (0.35) GRM2
SCHEMBL6678485 0.85 GRM2 (0.35) GRM2
SCHEMBL6681810 0.84 GRM2 (0.39) GRM2ALDH1A1KCNQ4KCNQ5
SCHEMBL6678438 0.84 GRM2 (0.35) GRM2
SCHEMBL7239503 0.83 GRM2 (0.34) GRM2
SCHEMBL6679814 0.82 GRM2 (0.33) GRM2
SCHEMBL6676328 0.81 MAPT (0.39) GRM2KDM4EALDH1A1GAAMAPT
SCHEMBL6676778 0.80 RXRA (0.35) 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