SCHEMBL6676328

SCHEMBL6676328

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
KDM4E B2RXH2 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 2/20 0.39
THRB P10828 1/20 0.39
HPGD P15428 1/20 0.39
HTT P42858 1/20 0.39
GFER P55789 1/20 0.39
PLEC Q15149 1/20 0.39
PRKCI P41743 1/20 0.36
AAK1 Q2M2I8 1/20 0.36
ACHE P22303 1/20 0.35
GRM2 Q14416 1/20 0.34
NR1H2 P55055 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC1 Q13547 1/20 0.32
HDAC2 Q92769 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
HSD17B10 Q99714 1/20 0.32
MAPK1 P28482 2/20 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
SCHEMBL6675380 0.87 AAK1 (0.37) MAPTGAAPRKCIAAK1ACHE
SCHEMBL6674369 0.85 PRKCI (0.41) MAPTKDM4EALDH1A1GAAHTT
SCHEMBL6680008 0.84 CA12 (0.39) MAPTGAAHTTACHEHDAC3
SCHEMBL12569696 0.84 PRKCI (0.38) MAPTALDH1A1GAATHRBPRKCI
SCHEMBL6682105 0.82 PRKCI (0.37) ALDH1A1PRKCIAAK1ACHEGRM2
SCHEMBL6675419 0.81 GRM2 (0.40) PRKCIAAK1ACHEGRM2NR1H2
SCHEMBL6675964 0.81 HTR2A (0.40) PRKCIACHEGRM2NR1H2
SCHEMBL6676359 0.81 ALDH1A1 (0.36) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL6676366 0.81 GRM2 (0.33) MAPTKDM4EALDH1A1GAATHRB
SCHEMBL27406854 0.81 MAPT (0.48) MAPTKDM4EALDH1A1GAATHRB

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