SCHEMBL8961176

SCHEMBL8961176

CCCCCC(=O)NCCc1cc(C(=O)c2ccccc2)cc2ccc(OC)cc12

nearest known ligand 0.73

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.73
MTNR1B P49286 8/20 0.60
NQO2 P16083 1/20 0.54
CNR1 P21554 2/20 0.52
KDM4E B2RXH2 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
L3MBTL1 Q9Y468 1/20 0.52

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
SCHEMBL8960991 0.97 MTNR1A (0.74) MTNR1AMTNR1BNQO2KDM4EHPGD
SCHEMBL8960935 0.94 MTNR1A (0.79) MTNR1AMTNR1BNQO2KDM4EHSD17B10
SCHEMBL8961115 0.89 MTNR1A (0.80) MTNR1AMTNR1BNQO2
SCHEMBL8961127 0.89 MTNR1A (0.73) MTNR1AMTNR1BNQO2
SCHEMBL8961137 0.88 MTNR1A (0.72) MTNR1AMTNR1BCNR1KDM4EHPGD
SCHEMBL8960969 0.86 MTNR1A (0.79) MTNR1AMTNR1BNQO2
SCHEMBL8961320 0.85 MTNR1A (0.67) MTNR1AMTNR1BKDM4EHPGDHSD17B10
SCHEMBL8526049 0.85 MTNR1A (1.00) MTNR1AMTNR1BNQO2
SCHEMBL8961114 0.85 MTNR1A (0.73) MTNR1AMTNR1B
SCHEMBL8961129 0.84 MTNR1A (0.79) MTNR1AMTNR1BNQO2

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