SCHEMBL7247906

SCHEMBL7247906

CCNC(=NC(=O)OC(C)(C)C)Nc1cccc(CN(C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 2/20 0.33
GLS O94925 1/20 0.33
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
HTR2C P28335 2/20 0.31
SLC6A4 P31645 2/20 0.31
MCHR1 Q99705 1/20 0.31
RIPK1 Q13546 1/20 0.31
GAA P10253 2/20 0.31
TSHR P16473 1/20 0.31
CACNA1C Q13936 1/20 0.31
SCN5A Q14524 1/20 0.31
TRPV4 Q9HBA0 1/20 0.31
BTK Q06187 1/20 0.31
BCHE P06276 1/20 0.30

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
SCHEMBL6677510 0.92 LMNA (0.33) LMNAPOLBHTTALDH1A1MEN1
SCHEMBL6677282 0.81 POLB (0.34) LMNAPOLBHTTALDH1A1GAA
SCHEMBL6680966 0.80 ALDH1A1 (0.36) LMNAPOLBHTTALDH1A1GLS
SCHEMBL6688950 0.80 GLS (0.42) GLSMEN1MAPTKMT2AHTR2C
SCHEMBL6680745 0.79 GAA (0.33) LMNAPOLBHTTALDH1A1MEN1
SCHEMBL6681938 0.78 HTT (0.39) LMNAHTTALDH1A1MEN1MAPT
SCHEMBL6679753 0.77 LMNA (0.36) LMNAPOLBHTTALDH1A1GLS
SCHEMBL6675871 0.77 KCNA5 (0.36) LMNAPOLBGLS
SCHEMBL6676761 0.73 POLB (0.35) LMNAPOLBHTTALDH1A1GAA
SCHEMBL7242006 0.73 GPR35 (0.38) LMNAPOLBHTTALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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