SCHEMBL5069884

SCHEMBL5069884

CCN(CC)CCCC(C)N(C(=O)O)c1ccnc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 10/20 0.49
CCR4 P51679 4/20 0.43
SLC2A1 P11166 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MAPT P10636 1/20 0.42
NSD1 Q96L73 1/20 0.42
HSD17B10 Q99714 1/20 0.42

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
SCHEMBL5071978 0.94 LMNA (0.46) CACNA2D1CCR4SLC2A1KDM4EMAPT
SCHEMBL1550558 0.86 KDM4E (0.46) CACNA2D1CCR4KDM4EMAPTNSD1
SCHEMBL1695719 0.85 KDM4E (0.46) CACNA2D1CCR4KDM4EMAPTNSD1
SCHEMBL5069903 0.85 CHRM2 (0.60) KDM4EMAPTNSD1HSD17B10
SCHEMBL5071096 0.81 HRH3 (0.47) CACNA2D1KDM4E
SCHEMBL1695397 0.81 TMEM97 (0.51) CACNA2D1CCR4KDM4EMAPTNSD1
SCHEMBL5074614 0.80 TMEM97 (0.50) CCR4KDM4EMAPTNSD1HSD17B10
SCHEMBL5074652 0.80 CHRM2 (0.65) KDM4EMAPTNSD1HSD17B10
SCHEMBL1695371 0.76 CACNA2D1 (0.51) CACNA2D1KDM4EMAPTNSD1HSD17B10
SCHEMBL5073627 0.75 HRH3 (0.44) CACNA2D1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1581167-A4 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS ALPHA RES GROUP LLC (US) 2008-10-29 EP claimed
JP-2006514917-A 2006-05-18 JP claimed
EP-1581167-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON'S DISEASE AND TARDIVE DYSKINESIAS Alpha Research Group, LLC (US) 2005-10-05 EP claimed
WO-2004004660-A2 COMPOSITIONS AND METHODS FOR THE TREATMENT OF PARKINSON’S DISEASE AND TARDIVE DYSKINESIAS ALPHA RESEARCH GROUP, L.L.C. (US) 2004-01-15 WO claimed
WO-2012163814-A1 CANCER TREATMENT BY COMBINING DNA MOLECULES MIMICKING DOUBLE STRAND BREAKS WITH HYPERTHERMIA INSTITUT CURIE (FR) 2012-12-06 WO disclosed