SCHEMBL7026322

SCHEMBL7026322

CCCCCCC(=O)NCCc1c[nH]c2ncc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.51

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 10/20 0.51
MTNR1B P49286 6/20 0.51
TRPV1 Q8NER1 5/20 0.50
STS P08842 2/20 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
SCHEMBL7019542 0.86 MTNR1A (0.69) MTNR1AMTNR1BTRPV1
SCHEMBL7018337 0.85 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL7019870 0.80 TRPV1 (0.68) MTNR1AMTNR1BTRPV1
SCHEMBL7021034 0.79 MTNR1A (0.52) MTNR1AMTNR1B
SCHEMBL8137831 0.73 MTNR1A (0.78) MTNR1AMTNR1B
SCHEMBL14907361 0.72 MTNR1A (0.75) MTNR1AMTNR1BTRPV1
SCHEMBL7505689 0.71 MTNR1A (0.92) MTNR1AMTNR1BTRPV1
SCHEMBL8571512 0.71 MTNR1A (0.92) MTNR1AMTNR1BTRPV1
SCHEMBL1129551 0.71 MTNR1A (0.92) MTNR1AMTNR1BTRPV1
SCHEMBL3815984 0.70 MTNR1A (0.75) MTNR1AMTNR1BTRPV1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
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