SCHEMBL16487016

SCHEMBL16487016

COc1cccc(N(CCCC(N)=O)c2cccc(OC)c2)c1

nearest known ligand 0.60

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.60
MTNR1B P49286 14/20 0.60
PARP1 P09874 1/20 0.47
HSD17B2 P37059 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47

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
SCHEMBL16487033 0.96 MTNR1B (0.64) MTNR1AMTNR1BPARP1HSD17B2L3MBTL1
SCHEMBL16486511 0.87 MTNR1A (0.66) MTNR1AMTNR1BPARP1
SCHEMBL16487029 0.86 MTNR1B (0.47) MTNR1AMTNR1BHSD17B2
SCHEMBL16487349 0.83 MTNR1A (0.64) MTNR1AMTNR1BPARP1
SCHEMBL16486780 0.82 MTNR1A (0.60) MTNR1AMTNR1BL3MBTL1
SCHEMBL3399533 0.75 MTNR1B (1.00) MTNR1AMTNR1B
SCHEMBL16487090 0.75 MTNR1B (0.59) MTNR1AMTNR1BHSD17B2
SCHEMBL28382188 0.74 PARP1 (0.56) MTNR1AMTNR1BPARP1HSD17B2L3MBTL1
SCHEMBL24708886 0.74 MTNR1B (0.62) MTNR1AMTNR1BHSD17B2
SCHEMBL934349 0.74 HDAC1 (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