SCHEMBL8960897

SCHEMBL8960897

CCCCC(=O)NCCc1cc(Cc2ccccc2)cc2ccc(OC)cc12

nearest known ligand 0.74

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.74
MTNR1B P49286 8/20 0.66
KDM4E B2RXH2 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
MEN1 O00255 1/20 0.55
KMT2A Q03164 1/20 0.55

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
SCHEMBL8961114 0.97 MTNR1A (0.73) MTNR1AMTNR1BMEN1KMT2A
SCHEMBL8960988 0.95 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8961287 0.90 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8961102 0.89 MTNR1A (0.69) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8961196 0.87 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL6078191 0.87 MTNR1A (0.55) MTNR1AMTNR1BHPGD
SCHEMBL8960850 0.87 MTNR1A (0.79) MTNR1AMTNR1B
SCHEMBL8960848 0.86 MTNR1A (0.74) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8610088 0.86 MTNR1A (1.00) MTNR1AMTNR1B
SCHEMBL8961078 0.85 MTNR1A (0.79) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5552418-A FOR TREATING DISORDERS OF THE MELATONINERGIC SYSTEM ADIR ET COMPAGNIE (FR) 1996-09-03 US disclosed