SCHEMBL2567728

SCHEMBL2567728

N#CC1(N(c2ccccc2)c2ccccc2)CCCCC1

nearest known ligand 0.37

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.34
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
PDE4A P27815 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HIF1A Q16665 1/20 0.33
MEN1 O00255 1/20 0.32
NPC1 O15118 1/20 0.32
ALDH1A1 P00352 1/20 0.32
RAB9A P51151 1/20 0.32
KMT2A Q03164 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32

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
SCHEMBL2229782 0.98 HIF1A (0.33) RXFP1L3MBTL1HIF1AMEN1NPC1
SCHEMBL27971601 0.76 KDM1A (0.32) RXFP1
SCHEMBL2983952 0.75 HIF1A (0.33) RXFP1L3MBTL1HIF1AMEN1NPC1
SCHEMBL8052199 0.73 ALDH1A1 (0.51) RXFP1L3MBTL1HIF1AMEN1NPC1
SCHEMBL5031067 0.73 SLC6A2 (0.38) SLC6A2SLC6A4SLC6A3MEN1ALDH1A1
SCHEMBL27875481 0.72 OPRM1 (0.49) RXFP1SLC6A2SLC6A4SLC6A3L3MBTL1
SCHEMBL3239387 0.70 ALDH1A1 (0.46) L3MBTL1HIF1AALDH1A1SMN1; SMN2
SCHEMBL3241413 0.69 OPRM1 (0.50) SLC6A2SLC6A4SLC6A3HIF1AALDH1A1
SCHEMBL28298245 0.68 OPRM1 (0.48) SLC6A2SLC6A4SLC6A3
SCHEMBL2565999 0.68 PDE4A (0.46) RXFP1PDE4AL3MBTL1ALDH1A1

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-2382240-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP Bridgestone Corporation (JP) 2011-11-02 EP disclosed
WO-2010085622-A9 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-12-23 WO disclosed
WO-2010085622-A2 POLYMERS FUNCTIONALIZED WITH NITRILE COMPOUNDS CONTAINING A PROTECTED AMINO GROUP BRIDGESTONE CORPORATION (JP) 2010-07-29 WO disclosed