SCHEMBL6520422

SCHEMBL6520422

N#CC1CCCc2c(OCc3ccccc3)cccc21

nearest known ligand 0.56

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MAOA P21397 8/20 0.53
MAOB P27338 8/20 0.53
KMT2A Q03164 2/20 0.53
LIPG Q9Y5X9 1/20 0.48
HTR1A P08908 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
SLC6A3 Q01959 1/20 0.45
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
RXRA P19793 2/20 0.41
RXRB P28702 2/20 0.41
RXRG P48443 2/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HTR2C P28335 1/20 0.40
HTR2B P41595 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
SCHEMBL3030825 0.84 MAOB (0.48) MAOAMAOBKMT2AHTR1ASLC6A2
SCHEMBL9814112 0.82 MAOA (0.45) MAOAMAOBKMT2AHTR1AL3MBTL1
SCHEMBL31318435 0.80 MAOA (0.53) MAOAMAOBKMT2ALIPGHTR1A
SCHEMBL9814126 0.80 KMT2A (0.45) KMT2AHTR1AMAPK1
SCHEMBL9814134 0.78 CA1 (0.51)
SCHEMBL1844378 0.77 LIPG (0.52) MAOAMAOBKMT2ALIPGHTR1A
SCHEMBL9488590 0.77 MAOB (0.59) MAOAMAOBKMT2ALIPGHTR1A
SCHEMBL6242626 0.77 MAOA (0.50) MAOAMAOBKMT2ALIPGHTR1A
SCHEMBL4760329 0.77 LIPG (0.52) MAOAMAOBKMT2ALIPGHTR1A
Hydrochloric Acid SCHEMBL4758894 0.76 LIPG (0.52) MAOAMAOBKMT2ALIPGHTR1A

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
JP-2005120027-A 5-BENZYLOXY-1,2,3,4-TETRAHYDRONAPHTHALENE DERIVATIVE AND METHOD FOR PRODUCING THE SAME MITSUBISHI PHARMA CORP 2005-05-12 JP disclosed