SCHEMBL5040392

SCHEMBL5040392

COc1cccc(-c2ccc3c(n2)[C@@H](C)C[C@@H](C)C3=O)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOB P27338 1/20 0.45
KDM1A O60341 1/20 0.44
MAP4K4 O95819 1/20 0.41
PDE4B Q07343 1/20 0.41
MAPT P10636 4/20 0.41
TP53 P04637 2/20 0.41
GAK O14976 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
ALDH1A1 P00352 4/20 0.40
HPGD P15428 3/20 0.40
HSD17B10 Q99714 2/20 0.40
LMNA P02545 2/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
ACHE P22303 1/20 0.40
TSHR P16473 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
HRH2 P25021 1/20 0.40
HRH3 Q9Y5N1 1/20 0.40

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
SCHEMBL4421425 1.00 MAOB (0.45) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL5040390 1.00 MAOB (0.45) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL5045924 0.88 KDM1A (0.40) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL4423409 0.88 KDM1A (0.40) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL4421925 0.88 KDM1A (0.40) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL4421780 0.85 ALDH1A1 (0.41) MAOBMAPTGSK3BALDH1A1HPGD
SCHEMBL4421876 0.80 MAOB (0.40) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL4424155 0.80 DHODH (0.44) MAOBKDM1AMAP4K4PDE4BMAPT
SCHEMBL4430429 0.71 ALDH1A1 (0.38) MAPTALDH1A1HPGDHSD17B10LMNA
SCHEMBL29470234 0.70 DYRK1A (0.58) MAP4K4MAPTTP53ALDH1A1HPGD

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1723116-B1 TETRAHYDROQUINOLINONES AND THEIR USE AS ANTAGONISTS OF METABOTROPIC GLUTAMATE RECEPTORS MERZ PHARMA GMBH & CO KGAA (DE) 2008-09-24 EP claimed