SCHEMBL7657265

SCHEMBL7657265

CCCC(=O)C1(c2ccccc2)CCN(C(=O)c2ccc3[nH]ccc3c2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 3/20 0.56
LMNA P02545 1/20 0.49
MAPT P10636 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
MGLL Q99685 1/20 0.49
CNR1 P21554 1/20 0.48
CNR2 P34972 1/20 0.48
GHSR Q92847 2/20 0.47
CTNNB1 P35222 1/20 0.46
WNT3A P56704 1/20 0.46
HTR1A P08908 1/20 0.46
DRD2 P14416 1/20 0.46
DRD3 P35462 1/20 0.46
FASN P49327 1/20 0.45
SLC6A2 P23975 2/20 0.44
SLC6A4 P31645 2/20 0.44
SLC6A3 Q01959 2/20 0.44
GPR183 P32249 1/20 0.43
CYP2D6 P10635 2/20 0.43
EPHX1 P07099 1/20 0.43

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
SCHEMBL3457697 0.77 MAPK14 (0.57) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL13127708 0.75 MAPK14 (0.55) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL415352 0.74 SLC6A2 (0.46) MAPK14LMNAMAPTL3MBTL1CNR1
SCHEMBL4818082 0.73 MAPK14 (0.54) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL762616 0.73 MAPK14 (0.57) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL4818069 0.73 MAPK14 (0.54) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL443982 0.73 TSHR (0.49) MAPK14LMNAMAPTL3MBTL1CNR1
Fluorobenzene SCHEMBL27500625 0.73 MAPK14 (0.69) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL22216386 0.73 LMNA (0.56) MAPK14LMNAMAPTL3MBTL1MGLL
SCHEMBL8534513 0.72 MAPK14 (0.64) MAPK14LMNAMGLLGHSRDRD2

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
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 WO claimed
US-6372752-B1 ENZYME INHIBITORS, RESPIRATORY SYSTEM DISORDERS, TUBERCULOSIS AND MYCOBACTERIUM BACTERICIDES GENZYME CORPORATION 2002-04-16 US disclosed
WO-2001056974-A2 INHA INHIBITORS AND THEIR USE AS ANTIBACTERIALS GENZYME CORPORATION (US) 2001-08-09 WO disclosed