SCHEMBL7018441

SCHEMBL7018441

O=C(NCCc1csc2ccc(OS(=O)(=O)C(F)(F)F)cc12)C1CC1

nearest known ligand 0.71

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 19/20 0.71
MTNR1B P49286 11/20 0.71
ALDH1A1 P00352 1/20 0.45

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
SCHEMBL7019670 0.85 MTNR1A (0.70) MTNR1AMTNR1B
SCHEMBL7024587 0.84 MTNR1A (0.55) MTNR1AMTNR1B
SCHEMBL7017969 0.83 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1
SCHEMBL7014496 0.80 MTNR1A (0.49) MTNR1AMTNR1B
SCHEMBL7015840 0.80 MTNR1A (0.71) MTNR1AMTNR1B
SCHEMBL9121699 0.79 MTNR1A (1.00) MTNR1AMTNR1BALDH1A1
SCHEMBL7021360 0.79 NQO2 (0.52) MTNR1AMTNR1B
SCHEMBL7017107 0.78 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1
SCHEMBL9118982 0.78 MTNR1A (0.94) MTNR1AMTNR1BALDH1A1
SCHEMBL5340167 0.78 MTNR1A (0.71) 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 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