SCHEMBL6677280

SCHEMBL6677280

CCN(C)C(=N)Nc1cccc(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.34
POLB P06746 2/20 0.34
ALDH1A1 P00352 4/20 0.33
HTT P42858 1/20 0.32
BCHE P06276 2/20 0.32
CTSL P07711 1/20 0.32
CTSB P07858 1/20 0.32
CTSS P25774 1/20 0.32
NLRP3 Q96P20 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
GLS O94925 1/20 0.31
RIPK1 Q13546 1/20 0.31
HPGD P15428 1/20 0.31
HTR2C P28335 1/20 0.31
SLC6A4 P31645 1/20 0.31
HDAC3 O15379 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
NCOR2 Q9Y618 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
SCHEMBL7242001 0.88 GPR35 (0.38) LMNAPOLBCTSLCTSBCTSS
SCHEMBL6676761 0.83 POLB (0.35) LMNAPOLBALDH1A1HTTBCHE
SCHEMBL6676005 0.81 LMNA (0.33) LMNAPOLBALDH1A1HTTHPGD
SCHEMBL6674712 0.79 ALDH1A1 (0.36) LMNAPOLBALDH1A1HTTHPGD
SCHEMBL6674963 0.78 GLS (0.40) LMNAPOLBHTTBCHECTSL
SCHEMBL6676767 0.78 CACNA1C (0.43) LMNAPOLBALDH1A1HTTNLRP3
SCHEMBL6677282 0.78 POLB (0.34) LMNAPOLBALDH1A1HTTBCHE
SCHEMBL6680964 0.77 NQO2 (0.47) LMNAPOLBALDH1A1MEN1KMT2A
SCHEMBL6676232 0.76 MAPT (0.35) LMNAPOLBALDH1A1HTTBCHE
Hydrochloric Acid SCHEMBL6684659 0.74 MAPT (0.34) LMNAPOLBALDH1A1HTTBCHE

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