SCHEMBL7003203

SCHEMBL7003203

COc1c(OCc2ccccc2)ccc2cc3c(=O)n(C)ccn3c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
HSD17B10 Q99714 3/20 0.42
ALDH1A1 P00352 2/20 0.42
MAPT P10636 1/20 0.42
KDM4C Q9H3R0 1/20 0.42
SRD5A1 P18405 1/20 0.40
SRD5A2 P31213 1/20 0.40
PDE4A P27815 1/20 0.39
PDE4B Q07343 1/20 0.39
PDE4C Q08493 1/20 0.39
PDE4D Q08499 1/20 0.39
SIRT2 Q8IXJ6 1/20 0.39
KMT2A Q03164 2/20 0.39
MEN1 O00255 1/20 0.39
MAPK14 Q16539 1/20 0.38
CHRNA7 P36544 2/20 0.38
NPC1 O15118 2/20 0.37
RAB9A P51151 2/20 0.37
MAPK1 P28482 1/20 0.37

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
SCHEMBL7004603 0.83 ALDH1A1 (0.40) HSD17B10ALDH1A1MAPTKDM4CSRD5A1
SCHEMBL7006729 0.76 ALOX5 (0.48) MTNR1ASRD5A2KMT2AMEN1MAPK14
SCHEMBL7003392 0.74 MAPK14 (0.48) MTNR1AMTNR1BMAPTKMT2AMEN1
SCHEMBL7009955 0.74 NPC1 (0.56) SRD5A2KMT2AMEN1MAPK14NPC1
SCHEMBL7009822 0.72 HTR2A (0.43) HSD17B10ALDH1A1MAPTKMT2AMEN1
SCHEMBL9352203 0.68 CTSV (0.46) HSD17B10ALDH1A1MAPTKDM4CSRD5A1
SCHEMBL11970494 0.67 MAPK14 (0.52) ALDH1A1MAPTKMT2AMEN1MAPK14
SCHEMBL7003133 0.67 CA2 (0.44) MTNR1AMTNR1BALDH1A1KMT2AMEN1
SCHEMBL12303126 0.66 MAPT (0.57) ALDH1A1MAPTKMT2AMEN1NPC1
SCHEMBL13007327 0.66 MTNR1A (0.77) MTNR1AMTNR1BHSD17B10ALDH1A1MAPT

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-1200439-B1 1,2-DIHYDRO-1-OXO-PARAZINO(1,2-A) INDOLE DERIVATIVES NOVUSPHARMA SPA (IT) 2003-06-25 EP disclosed