SCHEMBL7106560

SCHEMBL7106560

CNC(=O)NCCc1c[nH]c2ncc(O)cc12

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.55
MTNR1B P49286 2/20 0.55
SPR P35270 4/20 0.47
KDM4E B2RXH2 3/20 0.47
ALDH1A1 P00352 2/20 0.47
NPSR1 Q6W5P4 2/20 0.47
CYP2D6 P10635 2/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
MAPT P10636 1/20 0.47
IDO1 P14902 1/20 0.47
HPGD P15428 1/20 0.47
BLM P54132 1/20 0.47
NOTUM Q6P988 1/20 0.47
LMNA P02545 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
SNCA P37840 1/20 0.43
TRPV1 Q8NER1 4/20 0.43
MEN1 O00255 1/20 0.42
HTR2C P28335 1/20 0.42

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
SCHEMBL6075502 0.89 MTNR1A (0.54) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL5346189 0.87 MTNR1A (0.71) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL8158265 0.84 MTNR1A (0.78) MTNR1AMTNR1BKDM4EALDH1A1CYP2D6
SCHEMBL25030267 0.84 KDM4E (0.58) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL6075355 0.81 MTNR1A (0.51) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL5339908 0.80 SPR (0.65) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL5340014 0.79 MEN1 (0.60) MTNR1AMTNR1BALDH1A1SNCATRPV1
SCHEMBL7019870 0.79 TRPV1 (0.68) MTNR1AMTNR1BMAPTTRPV1MEN1
SCHEMBL6076414 0.78 SPR (0.60) MTNR1AMTNR1BSPRKDM4EALDH1A1
SCHEMBL7100086 0.78 SPR (0.76) MTNR1ASPRKDM4EALDH1A1NPSR1

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