SCHEMBL7004499

SCHEMBL7004499

O=c1c2cc3ccc(OCc4ccccc4)cc3n2ccn1CCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 1/20 0.47
ALOX5 P09917 1/20 0.45
HTR7 P34969 1/20 0.44
MAPK14 Q16539 1/20 0.43
HRH3 Q9Y5N1 1/20 0.43
MAOB P27338 7/20 0.43
MAOA P21397 5/20 0.43
MEN1 O00255 2/20 0.43
NPC1 O15118 2/20 0.43
KMT2A Q03164 2/20 0.43
CA12 O43570 1/20 0.43
CA1 P00915 1/20 0.43
CA2 P00918 1/20 0.43
CA3 P07451 1/20 0.43
CA4 P22748 1/20 0.43
CA6 P23280 1/20 0.43
CA7 P43166 1/20 0.43
MTNR1A P48039 1/20 0.43
CA9 Q16790 1/20 0.43
CA14 Q9ULX7 1/20 0.43

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
SCHEMBL7006801 0.88 MAPK14 (0.54) ALOX5HTR7MAPK14MAOBMAOA
SCHEMBL7001976 0.87 MCHR1 (0.47) MCHR1ALOX5HTR7MAPK14MAOB
SCHEMBL7006729 0.85 ALOX5 (0.48) ALOX5HTR7MAPK14HRH3MAOB
SCHEMBL7003158 0.83 MAPK14 (0.48) ALOX5MAPK14
SCHEMBL7006120 0.82 CYP3A4 (0.43) ALOX5HTR7MAPK14MAOBMAOA
SCHEMBL7009665 0.81 ALOX5 (0.47) MCHR1ALOX5MAOBMAOAMEN1
SCHEMBL7006817 0.81 SNRNP200 (0.45) ALOX5MAPK14
SCHEMBL7005838 0.81 TDP1 (0.42) ALOX5HTR7MAPK14MAOBMAOA
SCHEMBL7002364 0.77 NPC1 (0.47) MCHR1MEN1NPC1KMT2ARAB9A
SCHEMBL7003213 0.76 NSD2 (0.50) ALOX5MAPK14MAOBMAOAMEN1

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