SCHEMBL7864555

SCHEMBL7864555

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

nearest known ligand 0.45

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 6/20 0.45
CYP1A2 P05177 3/20 0.45
TDP1 Q9NUW8 2/20 0.45
HIF1A Q16665 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
ALDH1A1 P00352 5/20 0.42
CA14 Q9ULX7 1/20 0.42
HSD11B1 P28845 1/20 0.42
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
CYP2C19 P33261 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
POLB P06746 1/20 0.42
CYP3A4 P08684 1/20 0.42
RAF1 P04049 1/20 0.41
MAP2K1 Q02750 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE10A Q9Y233 1/20 0.40

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
SCHEMBL7867003 0.95 KDM4E (0.42) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL7864548 0.95 HCRTR1 (0.42) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL7864551 0.90 CA14 (0.48) KDM4ETDP1CA14CYP3A4
SCHEMBL7866979 0.89 CA14 (0.49) KDM4ETDP1CA14SMN1; SMN2CYP3A4
SCHEMBL15311807 0.85 CYP1A2 (0.47) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL15311805 0.85 CYP1A2 (0.47) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL15311416 0.84 CYP1A2 (0.46) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL15311414 0.84 CYP1A2 (0.46) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL5073353 0.84 HIF1A (0.55) KDM4ECYP1A2TDP1HIF1AMEN1
SCHEMBL8610350 0.83 KDM4E (0.45) KDM4ECYP1A2TDP1HIF1AMEN1

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
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
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