SCHEMBL7016887

SCHEMBL7016887

CCCCC(=O)NCCc1csc2ccc(N)cc12

nearest known ligand 0.76

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 14/20 0.76
MTNR1B P49286 7/20 0.52
HSD17B10 Q99714 2/20 0.46
KDM4E B2RXH2 1/20 0.43

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
SCHEMBL7022006 0.87 MTNR1A (0.77) MTNR1AMTNR1B
SCHEMBL8884045 0.86 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10
SCHEMBL7017936 0.84 MTNR1A (1.00) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL3813950 0.83 MTNR1A (0.71) MTNR1AMTNR1BHSD17B10
SCHEMBL27449304 0.81 MTNR1A (0.67) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL6077096 0.81 MTNR1A (0.67) MTNR1AMTNR1B
SCHEMBL7024425 0.80 MTNR1A (0.66) MTNR1AMTNR1BHSD17B10KDM4E
SCHEMBL8881811 0.80 MTNR1A (0.89) MTNR1AMTNR1B
SCHEMBL6075680 0.80 MTNR1A (0.66) MTNR1AMTNR1B
SCHEMBL14155103 0.79 MTNR1A (0.45) 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1128142-C Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2003-11-19 CN disclosed
EP-1057826-B1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them SERVIER LAB (FR) 2003-04-16 EP disclosed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US disclosed
CN-1277962-A Novel substituted dipolymer compounds, prepn. method therefor, pharmaceutical compositions contg. same ADIR (FR) 2000-12-27 CN disclosed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP disclosed