SCHEMBL7015644

SCHEMBL7015644

CC(=O)NCCc1c[nH]c2ccc(OCCCCBr)cc12

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 15/20 0.78
MTNR1B P49286 14/20 0.78
NOTUM Q6P988 3/20 0.70
KDM4E B2RXH2 2/20 0.70
ALDH1A1 P00352 2/20 0.70
CYP1A2 P05177 2/20 0.70
CYP3A4 P08684 2/20 0.70
CYP2D6 P10635 2/20 0.70
HPGD P15428 2/20 0.70
BLM P54132 2/20 0.70
HTR1A P08908 2/20 0.70
KMT2A Q03164 2/20 0.70
MEN1 O00255 1/20 0.70
CYP1A1 P04798 1/20 0.70
MPO P05164 1/20 0.70
NQO2 P16083 1/20 0.70
HTR2B P41595 1/20 0.70
RAB9A P51151 1/20 0.70
PMP22 Q01453 1/20 0.70
CYP1B1 Q16678 1/20 0.70

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
SCHEMBL7020360 0.94 MTNR1A (0.87) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL18222510 0.93 MTNR1A (0.81) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL7017649 0.90 MTNR1A (0.87) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL16923847 0.90 MTNR1A (0.87) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907323 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907324 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907338 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907332 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907352 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1
SCHEMBL14907331 0.89 MTNR1A (0.78) MTNR1AMTNR1BNOTUMKDM4EALDH1A1

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
CN-112341493-A Mitochondrial targeting melatonin modified based on triphenylphosphine and preparation method and application thereof 重庆医药高等专科学校附属第一医院(重庆市职业病防治院重庆市第六人民医院重庆市中毒控制中心) 2021-02-09 CN claimed
CN-112341493-B Mitochondrial targeting melatonin based on triphenylphosphine modification and preparation method and application thereof 重庆医药高等专科学校附属第一医院(重庆市职业病防治院 重庆市第六人民医院 重庆市中毒控制中心) 2023-08-15 CN disclosed
CN-112341493-A Mitochondrial targeting melatonin modified based on triphenylphosphine and preparation method and application thereof 重庆医药高等专科学校附属第一医院(重庆市职业病防治院重庆市第六人民医院重庆市中毒控制中心) 2021-02-09 CN disclosed
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