SCHEMBL7864548

SCHEMBL7864548

CCN(CCCN(CCCN(CCc1ccccn1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 12/20 0.42
HCRTR2 O43614 12/20 0.42
KDM4E B2RXH2 3/20 0.42
TDP1 Q9NUW8 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.41
HIF1A Q16665 1/20 0.41
TRPM8 Q7Z2W7 1/20 0.41
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7864555 0.95 KDM4E (0.45) KDM4ETDP1ALDH1A1CYP1A2HIF1A
SCHEMBL7867003 0.93 KDM4E (0.42) HCRTR1HCRTR2KDM4ETDP1ALDH1A1
SCHEMBL7864551 0.85 CA14 (0.48) KDM4ETDP1
SCHEMBL7866979 0.84 CA14 (0.49) KDM4ETDP1
SCHEMBL27439189 0.82 TRPM8 (0.55) KDM4ETDP1CYP1A2TRPM8
SCHEMBL8610350 0.81 KDM4E (0.45) HCRTR1HCRTR2KDM4ETDP1ALDH1A1
SCHEMBL15311807 0.81 CYP1A2 (0.47) KDM4ETDP1ALDH1A1CYP1A2HIF1A
SCHEMBL15311805 0.81 CYP1A2 (0.47) KDM4ETDP1ALDH1A1CYP1A2HIF1A
SCHEMBL15311416 0.80 CYP1A2 (0.46) KDM4ETDP1ALDH1A1CYP1A2HIF1A
SCHEMBL15311414 0.80 CYP1A2 (0.46) KDM4ETDP1ALDH1A1CYP1A2HIF1A

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