SCHEMBL8837552

SCHEMBL8837552

COc1ccc2[nH]c(CCN3C(=O)c4ccccc4C3=O)cc2c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.61
HPGD P15428 2/20 0.61
ALDH1A1 P00352 1/20 0.61
NPSR1 Q6W5P4 1/20 0.61
RXFP1 Q9HBX9 1/20 0.61
HRH3 Q9Y5N1 3/20 0.59
MAPT P10636 4/20 0.55
MEN1 O00255 3/20 0.55
KMT2A Q03164 3/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
LOXL2 Q9Y4K0 1/20 0.52
MTNR1A P48039 2/20 0.52
MTNR1B P49286 1/20 0.52
RAB9A P51151 3/20 0.50
HTT P42858 1/20 0.45
PDE10A Q9Y233 1/20 0.45
KDM4E B2RXH2 1/20 0.45
NPC1 O15118 1/20 0.45
POLB P06746 1/20 0.45
ALOX12 P18054 1/20 0.45

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
SCHEMBL12758951 0.82 HRH3 (0.56) LMNAHPGDALDH1A1NPSR1RXFP1
SCHEMBL4470856 0.81 MAPT (0.52) LMNAHPGDALDH1A1NPSR1RXFP1
SCHEMBL11354778 0.77 GPR84 (0.44) LMNAHPGDALDH1A1NPSR1RXFP1
SCHEMBL11982925 0.75 MEN1 (0.58) LMNAHPGDALDH1A1NPSR1RXFP1
SCHEMBL867547 0.75 LOXL2 (0.75) LMNAHPGDALDH1A1HRH3MAPT
SCHEMBL8229566 0.75 MAPT (0.87) LMNAHPGDALDH1A1NPSR1RXFP1
SCHEMBL6995767 0.74 AHR (0.67) HPGDALDH1A1HRH3MAPTMEN1
SCHEMBL7952644 0.74 LOXL2 (0.69) LMNAHPGDALDH1A1HRH3MAPT
SCHEMBL8801068 0.74 GPR84 (0.51) LMNAHPGDALDH1A1NPSR1MAPT
Hydrochloric Acid SCHEMBL9461291 0.74 RAB9A (0.54) LMNAHPGDALDH1A1NPSR1RXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-RE35631-E Method of production of essentially pure melatonin and the method of solubilizing melatonin in water IFLO S.A.S. (IT) 1997-10-14 US disclosed
US-5122535-A Mixing with adenosine; treating AIDS IFLO S.A.S. (IT) 1992-06-16 US disclosed
EP-0330625-A2 Total synthesis method for making an indole structure derivative product class, of the triptamine type, in particular, melatonin or N-acetyl-5-methoxytriptamine type, having a high purity degree and easily soluble, for therapeutic use against acquired immuno-deficiency syndromes I.F.L.O. S.a.s. di Giorgio e Aldo Laguzzi (IT) 1989-08-30 EP disclosed