SCHEMBL7477223

SCHEMBL7477223

COc1ccccc1OCCCOc1nccnc1N1CCNC(C)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE10A Q9Y233 2/20 0.40
BRPF1 P55201 2/20 0.39
BRD4 O60885 1/20 0.39
KIT P10721 1/20 0.39
CHRNB4 P30926 1/20 0.37
CHRNA3 P32297 1/20 0.37
GHSR Q92847 2/20 0.36
HTR1A P08908 1/20 0.36
SLC6A2 P23975 1/20 0.36
SLC6A4 P31645 1/20 0.36
SLC6A3 Q01959 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK12 P53778 1/20 0.36
MAPK11 Q15759 1/20 0.36
MAPK14 Q16539 1/20 0.36
LMNA P02545 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 1/20 0.36

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
SCHEMBL7474730 0.85 CYP2C19 (0.48) HTR1ASLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4317190 0.83 PDE10A (0.38) PDE10ABRPF1BRD4KITCHRNB4
SCHEMBL4312056 0.82 MAPT (0.46) PDE10AKITMAPK13MAPK12MAPK11
SCHEMBL4312809 0.82 CYP2C19 (0.49) HTR1ASLC6A2SLC6A4SLC6A3LMNA
SCHEMBL8651595 0.79 PDE10A (0.45) PDE10ABRPF1BRD4KITGHSR
SCHEMBL7476039 0.77 KDM4E (0.45) HTR1ATDP1
SCHEMBL4329085 0.76 MAPK13 (0.48) KITMAPK13MAPK12MAPK11MAPK14
SCHEMBL7469509 0.74 HTR2C (0.46) HTR1ASLC6A2SLC6A4TDP1
SCHEMBL4317318 0.73 HTR6 (0.45) HTR1ASLC6A2SLC6A4SLC6A3LMNA
SCHEMBL4311425 0.72 HTR1A (0.44) HTR1ASLC6A2LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1178973-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION Pharmacia AB (SE) 2002-02-13 EP disclosed
WO-2000076984-A2 NOVEL COMPOUNDS, THEIR USE AND PREPARATION BIOVITRUM AB (SE) 2000-12-21 WO disclosed