SCHEMBL7980863

SCHEMBL7980863

OC(COC1CCCCO1)Cc1ccccn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4C Q9H3R0 1/20 0.45
PTPRA P18433 1/20 0.39
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.37
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
HPGD P15428 2/20 0.36
FDPS P14324 1/20 0.36
RECQL P46063 1/20 0.35
DPP4 P27487 1/20 0.34
MAPT P10636 2/20 0.34
ALDH1A1 P00352 1/20 0.34
GRIN2D O15399 1/20 0.34
GRIN3B O60391 1/20 0.34
GRIN1 Q05586 1/20 0.34
GRIN2A Q12879 1/20 0.34
GRIN2B Q13224 1/20 0.34
GRIN2C Q14957 1/20 0.34
GRIN3A Q8TCU5 1/20 0.34

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
SCHEMBL17846160 0.81 MEN1 (0.41) KDM4CMEN1KMT2AALDH1A1
SCHEMBL10589318 0.80 KDM4C (0.51) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL6299639 0.80 KDM4C (0.44) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL28935874 0.78 KDM4C (0.65) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL13460358 0.77 MEN1 (0.49) KDM4CMEN1KMT2AL3MBTL1HPGD
SCHEMBL17846107 0.77 KDM4C (0.38) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL31419828 0.76 KDM4C (0.46) KDM4CL3MBTL1NPC1RAB9AMAPT
SCHEMBL7979813 0.76 FDPS (0.36) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL9679186 0.75 MEN1 (0.39) KDM4CMEN1KMT2AL3MBTL1NPC1
SCHEMBL30781642 0.73 KDM4C (0.42) KDM4CMEN1KMT2AL3MBTL1NPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6174877-B1 EXCELLANT BACTERICIDES, ORAL ABSORBABILITY AND STABILITY; IMPROVE THE STABILITY TO RENAL DEHYDROPEPTIDASE I (DHP-I); 2-(2-(N-HETEROCYCLIC-ETHYLTHIO-) DERIVATIVES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 2001-01-16 US disclosed
EP-0876370-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE Takeda Chemical Industries, Ltd. (JP) 1998-11-11 EP disclosed
WO-1997025325-A1 CARBAPENEM COMPOUNDS, THEIR PRODUCTION AND USE TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1997-07-17 WO disclosed