SCHEMBL7021471

SCHEMBL7021471

CC(=O)NCCC1CCOc2ccc(OCCCOc3ccc4c(c3)C(CCNC(C)=O)CCO4)cc21

nearest known ligand 0.86

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 17/20 0.86
MTNR1B P49286 15/20 0.86
NQO2 P16083 6/20 0.52
HTR1A P08908 1/20 0.44
HTR2C P28335 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
SCHEMBL7970691 0.89 MTNR1A (0.76) MTNR1AMTNR1BNQO2
SCHEMBL5223857 0.89 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR1AHTR2C
SCHEMBL6076698 0.82 MTNR1A (0.64) MTNR1AMTNR1BNQO2
SCHEMBL5223865 0.80 MTNR1A (0.63) MTNR1AMTNR1BNQO2HTR1AHTR2C
SCHEMBL5231694 0.78 MTNR1A (0.58) MTNR1AMTNR1BNQO2
SCHEMBL7022012 0.77 MTNR1A (0.57) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL132847 0.77 MTNR1A (0.66) MTNR1AMTNR1BNQO2HTR2C
SCHEMBL5226600 0.77 MTNR1A (0.65) MTNR1AMTNR1BNQO2HTR1AHTR2C
SCHEMBL7017326 0.76 MTNR1A (0.75) MTNR1AMTNR1BNQO2
SCHEMBL7198659 0.76 MTNR1A (0.69) 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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6635650-B2 Such as N-(2-(7-(2-((8-(2-(acetyl-amino)ethyl)-2-naphthyl) oxy)ethoxy)-1-napthyl)ethyl)acetamide for treating or preventing melatoninergic disorders LES LABORATOIRES SERVIER (FR) 2003-10-21 US disclosed
EP-1038863-B1 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof SERVIER LAB (FR) 2003-06-04 EP disclosed
US-6319930-B1 CONTAINING FUSED AROMATIC CARBO- OR HETEROCYCLIC RINGS AND AMIDE, THIOAMIDE, UREA OR THIOUREA GROUPS; USEFUL IN TREATING OR IN PREVENTING MELATONINERGIC DISORDERS. ADIR ET COMPAGNIE (FR) 2001-11-20 US disclosed
EP-1038863-A2 Substituted dimeric compounds, process for their preparation and pharmaceutical compositions thereof ADIR ET COMPAGNIE (FR) 2000-09-27 EP disclosed