SCHEMBL6052306

SCHEMBL6052306

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.45
RAB9A P51151 7/20 0.45
MET P08581 1/20 0.45
AXL P30530 1/20 0.45
MAPT P10636 5/20 0.44
LMNA P02545 2/20 0.44
CFTR P13569 2/20 0.43
ALDH1A1 P00352 5/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HPGD P15428 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
HSD17B10 Q99714 2/20 0.43
RXFP1 Q9HBX9 1/20 0.43
NR1H4 Q96RI1 1/20 0.43
PKM P14618 2/20 0.42
TRPV4 Q9HBA0 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
JAK2 O60674 1/20 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
Water SCHEMBL6052467 1.00 NPC1 (0.45) NPC1RAB9AMETAXLMAPT
SCHEMBL6052262 0.95 NPC1 (0.45) NPC1RAB9AMETAXLMAPT
SCHEMBL6052330 0.94 NPC1 (0.48) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6052345 0.93 NPC1 (0.50) NPC1RAB9AMETAXLMAPT
SCHEMBL6052406 0.92 NR1H4 (0.43) NPC1RAB9AMAPTLMNAALDH1A1
Water SCHEMBL6052257 0.92 NR1H4 (0.43) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6052674 0.92 ALDH1A1 (0.43) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL31303184 0.92 MCHR1 (0.45) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6052244 0.92 MCHR1 (0.45) NPC1RAB9AMAPTLMNAALDH1A1
SCHEMBL6052418 0.92 NPC1 (0.44) NPC1RAB9AMAPTLMNAALDH1A1

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
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
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