SCHEMBL12509869

SCHEMBL12509869

CC/C=N/Cc1ccc(CN(CCCCN(CCC)CCC)CC(=O)OCC)cc1

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 2/20 0.36
DRD2 P14416 1/20 0.35
HRH3 Q9Y5N1 1/20 0.35
PPARA Q07869 2/20 0.34
PPARG P37231 1/20 0.34
BCHE P06276 2/20 0.33
ACHE P22303 2/20 0.33
KMT2A Q03164 1/20 0.33
CXCR4 P61073 1/20 0.33

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
SCHEMBL12426408 0.86 LTA4H (0.41) LTA4HPPARAPPARGBCHEACHE
SCHEMBL12426453 0.83 ALDH1A1 (0.39) LTA4HPPARGBCHEACHE
SCHEMBL12426479 0.83 CXCR4 (0.41) LTA4HDRD2PPARAPPARGBCHE
SCHEMBL1638251 0.81 DRD2 (0.40) LTA4HDRD2HRH3BCHEACHE
SCHEMBL12426462 0.81 KMT2A (0.45) KMT2A
SCHEMBL12426447 0.80 CXCR4 (0.41) LTA4HDRD2PPARAPPARGBCHE
SCHEMBL2204055 0.79 RORC (0.47) LTA4HHRH3
SCHEMBL12426467 0.78 ALDH1A1 (0.43) PPARGKMT2A
SCHEMBL15162785 0.77 LTA4H (0.42) LTA4HDRD2BCHEACHEKMT2A
SCHEMBL15162786 0.77 LTA4H (0.42) LTA4HDRD2BCHEACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7977512-B2 Amine derivative, and production method and use thereof KUREHA CORPORATION (JP) 2011-07-12 US disclosed