SCHEMBL7021034

SCHEMBL7021034

O=C(NCCc1c[nH]c2ncc(OS(=O)(=O)C(F)(F)F)cc12)C1CC1

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 13/20 0.52
MTNR1B P49286 6/20 0.52
ALDH1A1 P00352 1/20 0.51
SPR P35270 1/20 0.47
KMT2A Q03164 1/20 0.42
BCHE P06276 2/20 0.42
ACHE P22303 2/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
HTR1B P28222 1/20 0.41

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
SCHEMBL7018337 0.86 MTNR1A (0.71) MTNR1AMTNR1BALDH1A1KMT2AHTR1A
SCHEMBL6745683 0.80 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1SPRBCHE
SCHEMBL7026322 0.79 MTNR1A (0.51) MTNR1AMTNR1B
SCHEMBL5339908 0.79 SPR (0.65) MTNR1AMTNR1BALDH1A1SPRKMT2A
SCHEMBL5340496 0.78 SPR (0.55) MTNR1AMTNR1BALDH1A1SPRKMT2A
SCHEMBL5335667 0.78 SPR (0.55) MTNR1AMTNR1BALDH1A1SPRKMT2A
SCHEMBL5339464 0.78 SPR (0.55) MTNR1AMTNR1BALDH1A1SPRKMT2A
SCHEMBL5335786 0.77 SPR (0.49) MTNR1AMTNR1BALDH1A1SPRKMT2A
SCHEMBL6218623 0.77 MTNR1A (0.52) MTNR1AMTNR1BALDH1A1SPRBCHE
SCHEMBL5341340 0.75 MTNR1A (0.56) MTNR1AMTNR1BALDH1A1SPRBCHE

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