SCHEMBL7883261

SCHEMBL7883261

CCOc1c(N)ccc(C)c1C(N)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
HSD17B10 Q99714 3/20 0.33
ALDH1A1 P00352 2/20 0.33
KCNH2 Q12809 2/20 0.32
KDM4E B2RXH2 1/20 0.32
POLB P06746 1/20 0.32
HPGD P15428 1/20 0.32
MAPK1 P28482 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
SMN1; SMN2 Q16637 2/20 0.31
NPC1 O15118 1/20 0.31
USP2 O75604 1/20 0.31
RAB9A P51151 1/20 0.31
LMNA P02545 3/20 0.31
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
MAOA P21397 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
SCHEMBL7878665 0.86 LMNA (0.34) MAPTMEN1KMT2ANPSR1HSD17B10
SCHEMBL7876696 0.81 MAPT (0.34) MAPTMEN1KMT2ANPSR1HSD17B10
SCHEMBL7883263 0.72 HDAC1 (0.41) MAPTKDM4EL3MBTL1LMNA
SCHEMBL27612427 0.70 NR1H2 (0.37) MEN1KMT2AALDH1A1POLBL3MBTL1
SCHEMBL7203924 0.67 AAK1 (0.39) KMT2AHSD17B10ALDH1A1LMNA
Carbamic Acid SCHEMBL28814185 0.67 TSHR (0.40) MAPTMEN1KMT2ANPSR1HSD17B10
SCHEMBL7047176 0.67 ALDH1A1 (0.44) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL11085866 0.66 APP (0.36) MEN1KMT2AHSD17B10ALDH1A1KCNH2
SCHEMBL27514230 0.65 ALDH1A1 (0.42) MAPTMEN1KMT2AHSD17B10ALDH1A1
SCHEMBL7878669 0.65 POLB (0.41) KDM4EPOLBHPGDMAPK1L3MBTL1

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-6331553-B1 INHIBITORS OF NITRIC OXIDE SYNTHASE; TREATING CEREBROVASCULAR DISEASES CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2001-12-18 US disclosed
EP-0949242-A1 AROMATIC AMINE DERIVATIVES HAVING NOS INHIBITORY EFFECT Chugai Seiyaku Kabushiki Kaisha (JP) 1999-10-13 EP disclosed