SCHEMBL4766831

SCHEMBL4766831

C=CCC(C=C)(NC(N)=O)C(=O)OC

nearest known ligand 0.35

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
CYP2C19 P33261 1/20 0.33
MAPT P10636 2/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
HTT P42858 1/20 0.30

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
SCHEMBL11261036 0.71 CYP2C19 (0.35) POLBTDP1CYP2C19MAPTHTT
SCHEMBL11261034 0.71 CYP2C19 (0.35) POLBTDP1CYP2C19MAPTHTT
SCHEMBL9169336 0.70 HTT (0.35) CYP2C19MAPTCACNA1BAPBA1HTT
SCHEMBL8586862 0.70 CYP2C19 (0.37) POLBTDP1CYP2C19MAPTHTT
SCHEMBL27412775 0.69 MAPT (0.41) POLBTDP1CYP2C19MAPTHTT
SCHEMBL1361079 0.69 CYP2C19 (0.39) POLBTDP1CYP2C19MAPT
SCHEMBL770755 0.69 CYP2C19 (0.39) POLBTDP1CYP2C19MAPT
SCHEMBL2302989 0.68 CYP2C19 (0.36) POLBTDP1CYP2C19MAPTHTT
SCHEMBL11740552 0.68 MAPT (0.39) POLBTDP1CYP2C19MAPT
SCHEMBL7275682 0.68 CYP2C19 (0.36) POLBTDP1CYP2C19MAPTHTT

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-1613606-A4 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMA INC (US) 2008-12-03 EP disclosed
EP-1613606-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2006-01-11 EP disclosed
WO-2004092121-A2 METHODS FOR PREPARING 2,3,5,6-SUBSTITUTED 3H-PYRIMIDIN-4-ONES NPS PHARMACEUTICALS, INC. (US) 2004-10-28 WO disclosed