SCHEMBL8961320

SCHEMBL8961320

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

nearest known ligand 0.72

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.67
MTNR1B P49286 4/20 0.61
KDM4E B2RXH2 1/20 0.59
HPGD P15428 1/20 0.59
HSD17B10 Q99714 1/20 0.59
L3MBTL1 Q9Y468 1/20 0.59

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
SCHEMBL8961137 0.97 MTNR1A (0.72) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8960891 0.95 MTNR1A (0.70) MTNR1AMTNR1BKDM4EHSD17B10
SCHEMBL8961030 0.89 MTNR1A (0.74) MTNR1AMTNR1B
SCHEMBL8961102 0.88 MTNR1A (0.69) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8960991 0.88 MTNR1A (0.74) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8960938 0.86 MTNR1A (0.65) MTNR1AMTNR1B
SCHEMBL8961237 0.86 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL6248768 0.85 MTNR1A (0.80) MTNR1AMTNR1B
SCHEMBL8960848 0.85 MTNR1A (0.74) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8961176 0.85 MTNR1A (0.73) MTNR1AMTNR1BKDM4EHPGDHSD17B10

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