SCHEMBL8339929

SCHEMBL8339929

COc1c(C)cccc1N1CCCC1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 3/20 0.46
HTR7 P34969 3/20 0.46
GAA P10253 2/20 0.44
LMNA P02545 2/20 0.44
NPSR1 Q6W5P4 2/20 0.44
HTR1A P08908 2/20 0.44
ALDH1A1 P00352 2/20 0.44
ADRB1 P08588 2/20 0.43
USP2 O75604 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
DRD2 P14416 1/20 0.42
MAPT P10636 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
HTR6 P50406 1/20 0.41
ALDH1A3 P47895 1/20 0.41

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
SCHEMBL31348240 0.84 ADRB1 (0.65) HTR7LMNAHTR1AADRB1DRD2
SCHEMBL7310094 0.81 KMT2A (0.54) GAALMNANPSR1HTR1AALDH1A1
SCHEMBL2939507 0.80 GAA (0.43) GAAUSP2SMN1; SMN2KMT2AMEN1
SCHEMBL30923161 0.79 KEAP1 (0.59) GAALMNANPSR1ALDH1A1USP2
SCHEMBL24026443 0.77 KDM4E (0.47) HTR2AGAALMNANPSR1HTR1A
SCHEMBL12806495 0.77 GAA (0.39) GAAALDH1A1USP2SMN1; SMN2KMT2A
SCHEMBL23843550 0.76 ADRB1 (0.69) GAALMNANPSR1ALDH1A1ADRB1
SCHEMBL329301 0.76 ADRB1 (0.67) HTR7GAALMNANPSR1ALDH1A1
SCHEMBL30228454 0.75 LMNA (0.68) GAALMNANPSR1ALDH1A1ADRB1
SCHEMBL9065218 0.75 LMNA (0.68) GAALMNANPSR1ALDH1A1ADRB1

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-2308854-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Sanofi-Aventis (FR) 2011-04-13 EP disclosed
EP-2305651-A1 2,3,6-trisubstituted-4-pyrimidone derivatives Mitsubishi Tanabe Pharma Corporation (JP) 2011-04-06 EP disclosed
US-7504411-B2 2,3,6-Trisubstituted-4-pyrimidone derivatives MITSUBISHI TANABE PHARMA CORPORATION (JP) 2009-03-17 US disclosed
WO-2004085408-A1 2, 3, 6-TRISUBSTITUTED-4-PYRIMIDONE DERIVATIVES MITSUBISHI PHARMA CORPORATION (JP) 2004-10-07 WO disclosed