SCHEMBL8644133

SCHEMBL8644133

CC(=O)NOCc1cccc2ccccc12

nearest known ligand 0.68

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 4/20 0.68
MEN1 O00255 2/20 0.58
KMT2A Q03164 2/20 0.58
ATM Q13315 1/20 0.52
PARP10 Q53GL7 2/20 0.51
SLC1A3 P43003 1/20 0.50
SLC1A2 P43004 1/20 0.50
SLC1A1 P43005 1/20 0.50
PARP15 Q460N3 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
MAPK8 P45983 1/20 0.47
MAPK9 P45984 1/20 0.47
MAPK10 P53779 1/20 0.47
EPHX1 P07099 1/20 0.47
FDPS P14324 1/20 0.46
TACR1 P25103 1/20 0.46
SIRT5 Q9NXA8 1/20 0.46

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
SCHEMBL9641021 0.85 ALDH1A1 (0.61) MTNR1AMEN1KMT2AATMPARP10
SCHEMBL6077255 0.85 MTNR1A (0.74) MTNR1AMEN1KMT2A
SCHEMBL8884729 0.82 MTNR1A (0.52) MTNR1AMEN1KMT2AATMPARP10
SCHEMBL8883881 0.82 MTNR1A (0.69) MTNR1AMEN1KMT2A
SCHEMBL8620465 0.82 MTNR1A (1.00) MTNR1A
SCHEMBL9395412 0.81 NQO2 (0.51) MTNR1AMEN1KMT2AATMPARP10
SCHEMBL8883727 0.81 MTNR1A (0.51) MTNR1AMEN1KMT2AATMPARP10
SCHEMBL8886877 0.80 MTNR1A (0.77) MTNR1A
SCHEMBL8883983 0.79 MTNR1A (0.52) MTNR1AMEN1KMT2AATM
SCHEMBL8883232 0.79 EPHX1 (0.52) MTNR1AMEN1KMT2AATMPARP10

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-0709371-B1 O-arylmethyl N-(thio)acyl hydroxylamines as ligands for the melatonine receptors, their processes of preparation and the pharmaceutical compositions containing them ADIR (FR) 1998-05-06 EP disclosed
US-5612368-A SKIN DISORDERS, MELATONINERGIC SYSTEMS, ANTIARRHYTHMIA AGENTS OR ANTIISCHEMIC AGENTS ADIR ET COMPAGNIE (FR) 1997-03-18 US disclosed
EP-0709371-A1 O-arylmethyl N-(thio)acyl hydroxylamines as ligands for the melatonine receptors, their processes of preparation and the pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 1996-05-01 EP disclosed