SCHEMBL3396410

SCHEMBL3396410

Cc1ccc(OCCNCCC(C)O)cc1

nearest known ligand 0.67

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 12/20 0.67
DRD4 P21917 12/20 0.67
DRD3 P35462 10/20 0.67
ATM Q13315 1/20 0.51
NPC1 O15118 2/20 0.49
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44

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
SCHEMBL1195798 0.85 DRD2 (0.64) DRD2DRD4DRD3ATMNPC1
SCHEMBL23067930 0.84 DRD2 (0.92) DRD2DRD4DRD3NPC1KDM4E
SCHEMBL14959985 0.83 L3MBTL1 (0.52) DRD2DRD4DRD3NPC1MEN1
SCHEMBL10698935 0.83 L3MBTL1 (0.52) DRD2DRD4DRD3NPC1MEN1
Hydrochloric Acid SCHEMBL8053903 0.82 DRD2 (0.88) DRD2DRD4DRD3ATMNPC1
SCHEMBL7804270 0.80 MEN1 (0.53) DRD2DRD4DRD3MEN1KMT2A
SCHEMBL11697655 0.80 DRD2 (0.76) DRD2DRD4DRD3ATMNPC1
Hydrochloric Acid SCHEMBL8042265 0.79 DRD4 (0.96) DRD2DRD4DRD3KDM4E
Hydrochloric Acid SCHEMBL1194654 0.79 TP53 (0.57) DRD2DRD4DRD3ATMNPC1
SCHEMBL13401927 0.78 MEN1 (0.51) DRD2DRD4DRD3MEN1KMT2A

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-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP claimed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO claimed
EP-2247571-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING OF AMINOALKANOLS AND THEIR USE Uniwersytet Jagiellonski (PL) 2010-11-10 EP disclosed
WO-2009093916-A2 DERIVATIVES OF AMINOALKANOLS, METHOD OF OBTAINING AMINOALKANOLS AND THEIR USE UNIWERSYTET JAGIELLONSKI (PL) 2009-07-30 WO disclosed