SCHEMBL6152399

SCHEMBL6152399

CCN(CC)CCNc1cccc(NCCN(CC)CC)c1C

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.53
PIM1 P11309 1/20 0.53
IDO1 P14902 1/20 0.53
LTK P29376 1/20 0.53
LIMK1 P53667 1/20 0.53
CLK4 Q9HAZ1 1/20 0.53
TERT O14746 2/20 0.48
MAPT P10636 3/20 0.43
ADRA2A P08913 3/20 0.43
CHRM2 P08172 2/20 0.43
HTR1A P08908 2/20 0.43
CHRM1 P11229 2/20 0.43
TBXA2R P21731 2/20 0.43
SLC6A2 P23975 2/20 0.43
APEX1 P27695 2/20 0.43
SLC6A4 P31645 2/20 0.43
ADRA1A P35348 2/20 0.43
OPRM1 P35372 2/20 0.43
DRD3 P35462 2/20 0.43
SLC6A3 Q01959 2/20 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
Bromide SCHEMBL6153155 0.98 CHEK1 (0.51) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL29477145 0.83 MAPT (0.64) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL18066528 0.83 MAPT (0.64) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL2781417 0.79 CHEK1 (0.63) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL10798671 0.78 CHEK1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL11749512 0.78 CHEK1 (0.54) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL9491481 0.77 MAPT (0.49) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL5605466 0.76 TERT (0.72) CHEK1PIM1IDO1LTKLIMK1
SCHEMBL9771628 0.76 KAT2B (0.49) CHEK1PIM1IDO1LTKLIMK1
Hydrochloric Acid SCHEMBL9771678 0.75 KAT2B (0.51) CHEK1PIM1IDO1LTKLIMK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP claimed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP claimed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO claimed
EP-1309540-B1 OXIDIZING COLORANT HENKEL KGAA (DE) 2005-11-02 EP disclosed
EP-1551832-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2005-07-13 EP disclosed
WO-2004031185-A1 8-AZABICYCLO[3.2.1]OCTANE ETHER DERIVATIVES AND THEIR USE AS NEUROKININ RECEPTOR ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 2004-04-15 WO disclosed
EP-1309540-A1 OXIDIZING COLORANT Henkel Kommanditgesellschaft auf Aktien (DE) 2003-05-14 EP disclosed
WO-2002010118-A1 OXIDIZING COLORANT HENKEL KOMMANDITGESELLSCHAFT AUF AKTIEN (DE) 2002-02-07 WO disclosed