SCHEMBL6364964

SCHEMBL6364964

CN(C)CCNc1ccc(Cl)c2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCF1 P14598 2/20 0.49
IDO1 P14902 2/20 0.48
CHEK1 O14757 1/20 0.48
PIM1 P11309 1/20 0.48
LTK P29376 1/20 0.48
LIMK1 P53667 1/20 0.48
CLK4 Q9HAZ1 1/20 0.48
SLC2A1 P11166 1/20 0.47
ALDH1A1 P00352 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
NQO2 P16083 3/20 0.43
NQO1 P15559 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2A6 P11509 1/20 0.43
GAA P10253 1/20 0.43
ALPG P10696 1/20 0.43
CYP2C19 P33261 1/20 0.42
SLC40A1 Q9NP59 1/20 0.42
TOP2A P11388 1/20 0.42
KDM4E B2RXH2 1/20 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
SCHEMBL6370234 0.90 POLB (0.50) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL6365165 0.84 IDO1 (0.68) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL18949757 0.81 NCF1 (0.54) NCF1IDO1CHEK1PIM1LTK
SCHEMBL6365362 0.78 IDO1 (0.57) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL16019538 0.78 NCF1 (0.47) NCF1IDO1CHEK1PIM1LTK
Hydrochloric Acid SCHEMBL9850513 0.77 CYP1A2 (0.48) IDO1CHEK1PIM1LTKLIMK1
SCHEMBL11669132 0.76 CA12 (0.61) NCF1SLC2A1ALDH1A1GAASLC40A1
SCHEMBL18949717 0.75 NCF1 (0.50) NCF1IDO1CHEK1PIM1LTK
Hydrochloric Acid SCHEMBL11668772 0.75 ALDH1A1 (0.62) NCF1SLC2A1ALDH1A1GAAALPG
SCHEMBL6671719 0.73 MALT1 (0.54) ALDH1A1NPSR1TOP2APOLBRAD52

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-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US claimed
EP-1178953-B1 AROMATIC AMIDES WARNER LAMBERT CO (US) 2003-12-03 EP claimed
JP-2002544186-A 2002-12-24 JP claimed
CN-1352631-A Aromatic amides WARNER LAMBERT CO (US) 2002-06-05 CN claimed
EP-1178953-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2002-02-13 EP claimed
WO-2000068184-A1 AROMATIC AMIDES WARNER-LAMBERT COMPANY (US) 2000-11-16 WO claimed
US-6846953-B1 Aromatic amides WARNER LAMBERT COMPANY (US) 2005-01-25 US disclosed