SCHEMBL9192809

SCHEMBL9192809

COc1ccc2[nH]cc(CCNC(=O)C3CCC3)c2c1

nearest known ligand 0.92

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.92
MTNR1B P49286 5/20 0.92
ALDH1A1 P00352 2/20 0.92
KDM4E B2RXH2 3/20 0.73
MAPT P10636 1/20 0.73
BCHE P06276 2/20 0.72
ACHE P22303 2/20 0.72
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
CYP1A2 P05177 1/20 0.70
CYP3A4 P08684 1/20 0.70
HTR1A P08908 1/20 0.70
CYP2D6 P10635 1/20 0.70
HPGD P15428 1/20 0.70
NQO2 P16083 1/20 0.70
HTR2B P41595 1/20 0.70
RAB9A P51151 1/20 0.70
BLM P54132 1/20 0.70

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
SCHEMBL4759323 0.96 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL7024067 0.87 MTNR1A (0.70) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL9295682 0.85 MTNR1A (0.76) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL4859320 0.85 KDM4E (1.00) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL7020873 0.84 SPR (0.91) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL12720722 0.83 MTNR1A (0.78) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL25210031 0.83 KDM4E (1.00) MTNR1AMTNR1BALDH1A1KDM4EMAPT
Melatonin SCHEMBL4686085 0.83 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EMAPT
Melatonin SCHEMBL29349848 0.83 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1KDM4EMAPT
SCHEMBL23644935 0.83 MTNR1A (0.83) MTNR1AMTNR1BALDH1A1KDM4EMAPT

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
EP-0527687-B1 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR (FR) 1995-11-22 EP claimed
US-5276051-A Treatment of melatoninergic system, antiischemic agents and skin disorders using aminoalkylindole compounds ADIR ET COMPAGNIE (FR) 1994-01-04 US claimed
EP-0527687-A2 Novel arylethylamin derivatives, processes for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1993-02-17 EP claimed