SCHEMBL7018937

SCHEMBL7018937

COc1ccc2[nH]cc(CC(=O)NCc3ccccc3)c2c1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 5/20 0.70
MTNR1B P49286 4/20 0.70
KDM4E B2RXH2 2/20 0.67
HTR2A P28223 1/20 0.65
SIGMAR1 Q99720 1/20 0.64
KMT2A Q03164 5/20 0.62
MEN1 O00255 4/20 0.60
FAAH O00519 1/20 0.60
MAPT P10636 1/20 0.60
NPC1 O15118 1/20 0.60
GPR84 Q9NQS5 1/20 0.58
ALDH1A1 P00352 1/20 0.58
CYP1A1 P04798 1/20 0.58
MPO P05164 1/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
HTR1A P08908 1/20 0.58
CYP2D6 P10635 1/20 0.58
HPGD P15428 1/20 0.58
NQO2 P16083 1/20 0.58

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
SCHEMBL18229463 0.87 KMT2A (0.73) MTNR1AMTNR1BKDM4EKMT2AMEN1
SCHEMBL798104 0.85 MTNR1A (0.72) MTNR1AMTNR1BKDM4EKMT2AMEN1
SCHEMBL7501961 0.85 KMT2A (0.81) MTNR1AMTNR1BKDM4EHTR2AKMT2A
SCHEMBL11190375 0.84 KDM4E (0.71) MTNR1AMTNR1BKDM4EKMT2AMEN1
SCHEMBL7023379 0.84 HTR1A (0.58) MTNR1AMTNR1BKDM4EHTR2ASIGMAR1
SCHEMBL7023934 0.83 LMNA (0.64) KDM4EKMT2AMAPTALDH1A1CYP1A2
SCHEMBL8252641 0.83 KDM4E (0.73) MTNR1AMTNR1BKDM4EHTR2AKMT2A
SCHEMBL5239218 0.83 KDM4E (0.73) MTNR1AMTNR1BKDM4EHTR2AKMT2A
SCHEMBL1853622 0.82 LMNA (0.71) KDM4ESIGMAR1KMT2AMEN1MAPT
SCHEMBL6862429 0.82 KDM4E (0.71) MTNR1AMTNR1BKDM4EHTR2AKMT2A

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