SCHEMBL7021092

SCHEMBL7021092

CNC(=O)NCCc1c[nH]c2ccc(OS(=O)(=O)C(F)(F)F)cc12

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.64
HTR1D P28221 4/20 0.64
HTR1B P28222 4/20 0.64
MTNR1A P48039 6/20 0.62
KMT2A Q03164 3/20 0.57
MEN1 O00255 2/20 0.57
MTNR1B P49286 3/20 0.55
KDM4E B2RXH2 1/20 0.55
ALDH1A1 P00352 1/20 0.55
CYP1A1 P04798 1/20 0.55
MPO P05164 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2D6 P10635 1/20 0.55
HPGD P15428 1/20 0.55
NQO2 P16083 1/20 0.55
HTR2B P41595 1/20 0.55
RAB9A P51151 1/20 0.55
BLM P54132 1/20 0.55
PMP22 Q01453 1/20 0.55

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
SCHEMBL7024310 0.89 MTNR1A (0.70) HTR1AHTR1DHTR1BMTNR1AKMT2A
SCHEMBL7099794 0.83 MTNR1A (0.88) HTR1AMTNR1AKMT2AMEN1MTNR1B
SCHEMBL7964472 0.81 MTNR1A (0.72) MTNR1AMTNR1BNQO2HTR2BTRPV1
SCHEMBL18222539 0.79 TRPM8 (0.75) HTR1DMTNR1AKMT2AMEN1MTNR1B
SCHEMBL7024455 0.79 HTR1A (0.61) HTR1AHTR1DHTR1BKMT2AMEN1
SCHEMBL18239782 0.79 MTNR1A (0.65) HTR1AHTR1DHTR1BMTNR1AKMT2A
SCHEMBL9272896 0.78 HTR1D (1.00) HTR1AHTR1DHTR1BMTNR1AKMT2A
SCHEMBL7100086 0.77 SPR (0.76) MTNR1AKMT2AMEN1KDM4EALDH1A1
SCHEMBL8064758 0.77 MTNR1A (0.63) MTNR1AMTNR1BNQO2HTR2BTRPV1
SCHEMBL9278912 0.76 HTR1D (1.00) HTR1AHTR1DHTR1BKMT2AMPO

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