Urea

Urea

SCHEMBL6171504

CCC(=O)Cc1ccccc1.NC(N)=O

nearest known ligand 0.52

Full drug profile on Sugi Atlas →

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CES1 P23141 2/20 0.52
CES2 O00748 1/20 0.52
AKR1B1 P15121 1/20 0.52
L3MBTL1 Q9Y468 4/20 0.49
TDP1 Q9NUW8 2/20 0.49
HIF1A Q16665 1/20 0.47
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
HDAC8 Q9BY41 1/20 0.45
HDAC6 Q9UBN7 1/20 0.45
TSHR P16473 1/20 0.44
HSD11B1 P28845 1/20 0.44
ALDH1A1 P00352 2/20 0.44
FNTA P49354 1/20 0.44
FNTB P49356 1/20 0.44
THRB P10828 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
MAPK1 P28482 1/20 0.42
CTBP2 P56545 1/20 0.42

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
SCHEMBL43241 0.94 CES1 (0.58) CES1CES2AKR1B1L3MBTL1TDP1
Benzene SCHEMBL27614820 0.94 CES1 (0.58) CES1CES2AKR1B1L3MBTL1TDP1
Methane SCHEMBL2442457 0.91 CES1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
Water SCHEMBL27427566 0.91 CES1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
Benzene SCHEMBL27747096 0.91 CES1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL10999568 0.91 CES1 (0.56) CES1CES2AKR1B1L3MBTL1TDP1
Butane SCHEMBL11691843 0.89 CES1 (0.54) CES1CES2AKR1B1L3MBTL1TDP1
Dimethylamine SCHEMBL3684568 0.88 CES1 (0.52) CES1CES2AKR1B1L3MBTL1TDP1
SCHEMBL29897949 0.86 LMNA (0.55) CES1CES2AKR1B1L3MBTL1TDP1
Chlorobenzene SCHEMBL27603194 0.84 L3MBTL1 (0.55) CES1CES2AKR1B1L3MBTL1TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0991408-B1 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC (US) 2005-03-09 EP disclosed
EP-0991408-A4 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC (US) 2003-07-09 EP disclosed
EP-0991408-A1 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS Endo Pharmaceuticals Inc. (US) 2000-04-12 EP disclosed
US-5955475-A SALT FORMATION TO ANHYDRATE; VACUUM EVAPORATION OF SOLVENT; WATER SOLUBILITY ENDO PHARMACEUTICALS INC. (US) 1999-09-21 US disclosed
WO-1999000131-A1 NOVEL PROCESS FOR MANUFACTURING PAROXETINE SOLID DISPERSIONS ENDO PHARMACEUTICALS INC. (US) 1999-01-07 WO disclosed