SCHEMBL7022005

SCHEMBL7022005

CC(=O)NCCc1c[nH]c2ccc(-c3cnc4[nH]cc(CCNC(C)=O)c4c3)cc12

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.65
MTNR1B P49286 14/20 0.65
NOTUM Q6P988 3/20 0.65
CYP1A2 P05177 4/20 0.63
BLM P54132 3/20 0.63
KDM4E B2RXH2 2/20 0.63
ALDH1A1 P00352 2/20 0.63
CYP3A4 P08684 2/20 0.63
CYP2D6 P10635 2/20 0.63
HPGD P15428 2/20 0.63
MAPT P10636 1/20 0.63
IDO1 P14902 1/20 0.63
SPR P35270 1/20 0.63
NPSR1 Q6W5P4 1/20 0.63
NQO2 P16083 3/20 0.60
MEN1 O00255 2/20 0.60
KMT2A Q03164 2/20 0.60
HSD17B10 Q99714 2/20 0.60
CYP1A1 P04798 1/20 0.60
MPO P05164 1/20 0.60

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
SCHEMBL8134979 0.86 MTNR1A (0.64) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL7018584 0.85 MTNR1A (0.71) MTNR1AMTNR1BNQO2HTR2B
SCHEMBL7016158 0.84 MTNR1A (0.58) MTNR1AMTNR1BNOTUMNQO2
SCHEMBL7018000 0.84 MTNR1A (0.74) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL7021391 0.84 MTNR1A (0.59) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL6922503 0.83 CYP1A2 (0.70) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL6921195 0.81 MTNR1A (0.82) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL5346189 0.79 MTNR1A (0.71) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL4512654 0.79 MTNR1A (1.00) MTNR1AMTNR1BNOTUMCYP1A2BLM
SCHEMBL7015300 0.79 MTNR1A (0.62) MTNR1AMTNR1BNOTUMCYP1A2BLM

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 6 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 claimed
US-6310074-B1 TREATING MELATONINERGIC DISORDERS ADIR ET COMPAGNIE (FR) 2001-10-30 US claimed
EP-1057826-A1 Substituted dimeric carboxamide derivatives, method for preparing them, and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-12-06 EP claimed
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