SCHEMBL7021029

SCHEMBL7021029

CC(=O)NCC1=COc2ccc(O)cc2O1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 8/20 0.51
MTNR1B P49286 3/20 0.37
KDM4E B2RXH2 3/20 0.36
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 2/20 0.36
MAPT P10636 2/20 0.36
HPGD P15428 2/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 1/20 0.36
CYP2D6 P10635 1/20 0.36
IDO1 P14902 1/20 0.36
SPR P35270 1/20 0.36
BLM P54132 1/20 0.36
NOTUM Q6P988 1/20 0.36
F13A1 P00488 1/20 0.36
KMT2A Q03164 1/20 0.33
FTO Q9C0B1 1/20 0.33
DRD2 P14416 1/20 0.32
DRD4 P21917 1/20 0.32
DRD3 P35462 1/20 0.32

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
SCHEMBL7098613 0.83 MTNR1A (0.40) MTNR1AALDH1A1MAPTHDAC1
SCHEMBL7201899 0.82 MTNR1A (0.56) MTNR1AMTNR1BCYP1A2SMN1; SMN2
SCHEMBL7198985 0.82 MTNR1A (0.73) MTNR1AMTNR1BNPSR1KMT2A
SCHEMBL6075864 0.81 SPR (0.41) MTNR1AMTNR1BKDM4EALDH1A1HPGD
SCHEMBL7018275 0.78 ERCC1 (0.45) KDM4EALDH1A1HPGDSPRKMT2A
SCHEMBL8116979 0.76 CAMK2A (0.39) MTNR1AALDH1A1NPSR1HPGDCYP3A4
SCHEMBL7205599 0.72 EGFR (0.43) KDM4EALDH1A1NPSR1MAPTHPGD
SCHEMBL6077132 0.69 MTNR1A (0.52) MTNR1AMTNR1BKDM4EF13A1KMT2A
SCHEMBL6077210 0.69 MTNR1A (0.78) MTNR1AMTNR1BNPSR1KMT2ADRD2
SCHEMBL8321236 0.68 EGFR (0.53) ALDH1A1MAPT

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