SCHEMBL7864551

SCHEMBL7864551

CC(C)(C)OC(=O)NCCCN(CCCN(CCc1ccccn1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.48
CKS1B P61024 1/20 0.43
SKP1 P63208 1/20 0.43
SKP2 Q13309 1/20 0.43
DRD2 P14416 2/20 0.42
TDP1 Q9NUW8 2/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
CYP3A4 P08684 1/20 0.39
KDM4E B2RXH2 3/20 0.39
IDO1 P14902 1/20 0.39
CA12 O43570 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39

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
SCHEMBL7866979 0.99 CA14 (0.49) CA14CKS1BSKP1SKP2DRD2
SCHEMBL7864555 0.90 KDM4E (0.45) CA14TDP1CYP3A4KDM4E
SCHEMBL8713559 0.87 CA14 (0.43) CA14CKS1BSKP1SKP2DRD2
SCHEMBL7864548 0.85 HCRTR1 (0.42) TDP1KDM4E
SCHEMBL7867003 0.85 KDM4E (0.42) CA14TDP1CYP3A4KDM4E
SCHEMBL18748502 0.82 CKS1B (0.47) CKS1BSKP1SKP2DRD2TDP1
SCHEMBL4424813 0.81 MEN1 (0.52) TDP1TAS1R3TAS1R1L3MBTL1NPSR1
SCHEMBL4036324 0.80 SMN1; SMN2 (0.48) TDP1STK17BSTK17ACYP3A4IDO1
SCHEMBL4036157 0.80 TDP1 (0.48) TDP1CYP3A4CA12CA1CA2
SCHEMBL29263680 0.80 SMN1; SMN2 (0.48) TDP1STK17BSTK17ACYP3A4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0815081-B1 PIPERIDINYL-2-ALKYL SUBSTITUTED LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 2001-10-04 EP disclosed
US-5834486-A ANTIPROLIFERATIVE, ANTIPROTOZOA AGENTS NOVARTIS AG (CH) 1998-11-10 US disclosed
EP-0815081-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION Novartis AG (CH) 1998-01-07 EP disclosed
WO-1996028425-A1 PIPERIDINYL-2-ALKYL SUBST. LINEAR POLYAMINES FOR THE REDUCTION OF INTRACELLULAR, ENDOGENIC POLYAMINE LEVELS SUCH AS PUTRESCINE, SPERMIDINE AND SPERMINE, AND THEIR IMPACT ON CELL PROLIFERATION NOVARTIS AG (CH) 1996-09-19 WO disclosed