SCHEMBL7016756

SCHEMBL7016756

O=C(NCCC1CCOc2ccc(OS(=O)(=O)C(F)(F)F)cc21)C(F)(F)F

nearest known ligand 0.52

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.52
MTNR1B P49286 15/20 0.52
NQO2 P16083 12/20 0.52
HTR1A P08908 1/20 0.39
PTGDR2 Q9Y5Y4 2/20 0.38
HSD11B1 P28845 1/20 0.36

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
SCHEMBL7021058 0.92 MTNR1A (0.52) MTNR1AMTNR1BNQO2HTR1APTGDR2
SCHEMBL7021486 0.87 MTNR1A (0.69) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL7013960 0.82 MTNR1A (0.51) MTNR1AMTNR1BNQO2
SCHEMBL7022012 0.77 MTNR1A (0.57) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5223857 0.73 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL7021471 0.72 MTNR1A (0.86) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL7963135 0.71 MTNR1A (0.50) MTNR1AMTNR1BNQO2
SCHEMBL7198659 0.70 MTNR1A (0.69) MTNR1AMTNR1BNQO2
SCHEMBL5227713 0.70 HTR1A (0.59) MTNR1AMTNR1BNQO2HTR1A
SCHEMBL5225817 0.69 MTNR1A (0.55) MTNR1AMTNR1BNQO2HTR1A

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