SCHEMBL6682282

SCHEMBL6682282

CCN(C(N)=NC(=O)OC(C)(C)C)c1ccc(N2CCCC2)c(CN(C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)c1

nearest known ligand 0.33

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.33
MAPT P10636 4/20 0.31
ALDH1A1 P00352 1/20 0.31
TSHR P16473 1/20 0.31
MEN1 O00255 2/20 0.30
KMT2A Q03164 2/20 0.30
KDM4E B2RXH2 1/20 0.30
THRB P10828 1/20 0.30
ALOX15 P16050 1/20 0.30
GFER P55789 1/20 0.30
YWHAG P61981 1/20 0.30
HSD17B10 Q99714 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
SCHEMBL6679944 0.87 GRM2 (0.32) MAPTKDM4E
SCHEMBL6675986 0.86 GRM2 (0.32) MAPTKDM4E
SCHEMBL6675633 0.85 GRM2 (0.35) MAPTKDM4E
SCHEMBL6678086 0.85 CYP3A4 (0.32) MAPTKDM4E
SCHEMBL6675985 0.84 GRM2 (0.31)
SCHEMBL6684402 0.83 ADRA2A (0.31)
SCHEMBL6679129 0.83 KDM4E (0.31) MAPTKDM4E
SCHEMBL6681139 0.83 KDM4E (0.31) MAPTKDM4E
SCHEMBL6686115 0.82 RXRA (0.32)
SCHEMBL6675190 0.79 PLA2G7 (0.34) SLC9A1MAPTALDH1A1TSHRMEN1

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
EP-0798292-B1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY CHUGAI SEIYAKUKABUSHIKI KAISHA (JP) 2004-11-03 EP disclosed
EP-0798292-A1 ANILINE DERIVATIVES HAVING NITROGEN MONOXIDE SYNTHASE INHIBITORY ACTIVITY Chugai Seiyaku Kabushiki Kaisha (JP) 1997-10-01 EP disclosed