SCHEMBL6680745

SCHEMBL6680745

CCNC(=NC(=O)OC(C)(C)C)Nc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1OC

nearest known ligand 0.33

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ACKR3 P25106 1/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
BRD4 O60885 1/20 0.30
LMNA P02545 3/20 0.30
HTT P42858 2/20 0.30
POLB P06746 1/20 0.30
ALDH1A1 P00352 1/20 0.30
MAPT P10636 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
CASR P41180 1/20 0.30
HPGD P15428 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
SCHEMBL6680738 0.80 NR1H4 (0.33) GAASMN1; SMN2L3MBTL1ACKR3LMNA
SCHEMBL7247906 0.79 LMNA (0.34) GAAMEN1KMT2ALMNAHTT
SCHEMBL7242006 0.78 GPR35 (0.38) GAAMEN1KMT2ALMNAHTT
SCHEMBL6679942 0.78 MCHR1 (0.32) HTT
SCHEMBL6677510 0.78 LMNA (0.33) GAAMEN1KMT2ALMNAHTT
SCHEMBL6677282 0.78 POLB (0.34) GAALMNAHTTPOLBALDH1A1
SCHEMBL6679125 0.78 MCHR1 (0.31)
SCHEMBL6681137 0.78 MCHR1 (0.31)
SCHEMBL6678270 0.78 LMNA (0.35) GAASMN1; SMN2L3MBTL1ACKR3LMNA
SCHEMBL6675981 0.78 CNR2 (0.33) MEN1KMT2APOLBALDH1A1MAPT

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