SCHEMBL6052244

SCHEMBL6052244

Cc1c(C(=O)Nc2ccc(N3CCC(N4CCOCC4)CC3)c(C#N)c2)cnn1-c1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 2/20 0.45
MAPT P10636 5/20 0.44
SMN1; SMN2 Q16637 4/20 0.44
ALDH1A1 P00352 4/20 0.44
HTT P42858 3/20 0.44
NPSR1 Q6W5P4 3/20 0.44
HPGD P15428 2/20 0.44
MITF O75030 1/20 0.44
G6PD P11413 1/20 0.44
ALOX12 P18054 1/20 0.44
MC4R P32245 1/20 0.44
TLR9 Q9NR96 1/20 0.44
KMT2A Q03164 3/20 0.43
MEN1 O00255 2/20 0.43
LMNA P02545 1/20 0.43
MAPK1 P28482 1/20 0.43
HSD17B10 Q99714 1/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
RAB9A P51151 3/20 0.42

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
SCHEMBL31303184 1.00 MCHR1 (0.45) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
Hydrochloric Acid SCHEMBL6052197 0.99 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6052190 0.95 MCHR1 (0.45) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
Water SCHEMBL6052511 0.94 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6052330 0.94 NPC1 (0.48) MAPTSMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL6052695 0.93 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
Water SCHEMBL6052740 0.92 NR1H4 (0.45) MAPTSMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL6052420 0.92 NR1H4 (0.45) MAPTSMN1; SMN2ALDH1A1HTTNPSR1
SCHEMBL6052097 0.92 NR1H4 (0.49) MCHR1MAPTSMN1; SMN2ALDH1A1HTT
SCHEMBL6052415 0.92 MCHR1 (0.44) MCHR1MAPTSMN1; SMN2ALDH1A1HTT

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 9 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
EP-1176140-A1 AMIDE COMPOUNDS AND MEDICINAL USE THEREOF Mitsubishi Pharma Corporation (JP) 2002-01-30 EP claimed
WO-2023081913-A1 WILD BOAR CATHELICIDIN PEPTIDE VARIANTS AND VECTORS ENCODING THE SAME FOR USES IN MANAGING CORONAVIRUS INFECTIONS EMORY UNIVERSITY (US) 2023-05-11 WO disclosed
CN-109045041-B Zika virus small molecule inhibitor 中国科学院微生物研究所 2021-10-08 CN disclosed
CN-109045041-A A kind of zika virus micromolecular inhibitor 中国科学院微生物研究所 2018-12-21 CN disclosed
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