SCHEMBL6052141

SCHEMBL6052141

Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(F)c(Cl)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.45
LMNA P02545 2/20 0.45
NR1H4 Q96RI1 1/20 0.44
ALDH1A1 P00352 5/20 0.44
HPGD P15428 3/20 0.44
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
MAPT P10636 4/20 0.43
NPSR1 Q6W5P4 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
MITF O75030 1/20 0.43
G6PD P11413 1/20 0.43
ALOX12 P18054 1/20 0.43
MC4R P32245 1/20 0.43
TLR9 Q9NR96 1/20 0.43
PKM P14618 1/20 0.43
ITGA4 P13612 1/20 0.41
JAK2 O60674 2/20 0.41
JAK1 P23458 2/20 0.41
JAK3 P52333 2/20 0.41

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
SCHEMBL6052406 0.93 NR1H4 (0.43) HTTLMNANR1H4ALDH1A1HPGD
Water SCHEMBL6052257 0.93 NR1H4 (0.43) HTTLMNANR1H4ALDH1A1HPGD
Water SCHEMBL6052740 0.93 NR1H4 (0.45) HTTLMNANR1H4ALDH1A1HPGD
SCHEMBL6052420 0.93 NR1H4 (0.45) HTTLMNANR1H4ALDH1A1HPGD
SCHEMBL6052244 0.92 MCHR1 (0.45) HTTLMNANR1H4ALDH1A1HPGD
SCHEMBL31303184 0.92 MCHR1 (0.45) HTTLMNANR1H4ALDH1A1HPGD
Hydrochloric Acid SCHEMBL6052197 0.91 MCHR1 (0.44) HTTLMNANR1H4ALDH1A1HPGD
SCHEMBL6052097 0.90 NR1H4 (0.49) HTTLMNANR1H4ALDH1A1HPGD
SCHEMBL6052306 0.90 NPC1 (0.45) HTTLMNANR1H4ALDH1A1HPGD
Water SCHEMBL6052467 0.90 NPC1 (0.45) HTTLMNANR1H4ALDH1A1HPGD

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US claimed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP claimed
CN-1346348-A Amide compound and pharmaceutical use thereof YOSHITOMI PHARMACEUTICAL (JP) 2002-04-24 CN claimed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
US-7015218-B1 Amide compounds and medicinal use thereof MITSUBISHI PHARMA CORPORATION (JP) 2006-03-21 US disclosed
EP-1176140-B1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF MITSUBISHI PHARMA CORP (JP) 2004-12-29 EP disclosed
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP disclosed