SCHEMBL7866979

SCHEMBL7866979

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

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA14 Q9ULX7 1/20 0.49
CKS1B P61024 1/20 0.44
SKP1 P63208 1/20 0.44
SKP2 Q13309 1/20 0.44
DRD2 P14416 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
STK17B O94768 1/20 0.40
STK17A Q9UEE5 1/20 0.40
SIGMAR1 Q99720 1/20 0.40
CYP3A4 P08684 1/20 0.40
KDM4E B2RXH2 2/20 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
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 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
SCHEMBL7864551 0.99 CA14 (0.48) CA14CKS1BSKP1SKP2DRD2
SCHEMBL7864555 0.89 KDM4E (0.45) CA14TDP1CYP3A4KDM4ESMN1; SMN2
SCHEMBL8713559 0.88 CA14 (0.43) CA14CKS1BSKP1SKP2DRD2
SCHEMBL7864548 0.84 HCRTR1 (0.42) TDP1KDM4E
SCHEMBL7867003 0.84 KDM4E (0.42) CA14TDP1CYP3A4KDM4ESMN1; SMN2
SCHEMBL18748502 0.83 CKS1B (0.47) CKS1BSKP1SKP2DRD2TDP1
SCHEMBL4424813 0.82 MEN1 (0.52) TDP1TAS1R3TAS1R1SMN1; SMN2L3MBTL1
SCHEMBL4036157 0.81 TDP1 (0.48) TDP1CYP3A4CA12CA1CA2
SCHEMBL4036324 0.81 SMN1; SMN2 (0.48) TDP1STK17BSTK17ACYP3A4IDO1
SCHEMBL29263680 0.81 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