SCHEMBL16487349

SCHEMBL16487349

COc1cccc(N(C)CCCCC(N)=O)c1

nearest known ligand 0.64

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.64
MTNR1B P49286 16/20 0.64
BCHE P06276 1/20 0.48
ACHE P22303 1/20 0.48
PARP1 P09874 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
SCHEMBL16486511 0.96 MTNR1A (0.66) MTNR1AMTNR1BPARP1
SCHEMBL20390462 0.88 MTNR1A (0.63) MTNR1AMTNR1BBCHEACHE
SCHEMBL16487016 0.83 MTNR1A (0.60) MTNR1AMTNR1BPARP1
SCHEMBL16486913 0.80 MTNR1A (0.57) MTNR1AMTNR1B
SCHEMBL16487033 0.80 MTNR1B (0.64) MTNR1AMTNR1BPARP1
SCHEMBL14149524 0.79 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL14352274 0.79 MTNR1A (0.62) MTNR1AMTNR1B
SCHEMBL3397751 0.78 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL5535156 0.78 MTNR1A (0.60) MTNR1AMTNR1B
SCHEMBL4516201 0.77 MTNR1B (0.63) MTNR1AMTNR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2015021535-A1 METHODS AND USES OF MELATONIN LIGANDS GOBBI GABRIELLA (CA) 2015-02-19 WO claimed
WO-2015021535-A1 METHODS AND USES OF MELATONIN LIGANDS GOBBI GABRIELLA (CA) 2015-02-19 WO disclosed