SCHEMBL8526207

SCHEMBL8526207

CCc1cccc(C(C)C)c1-n1c(=O)ccn(CC)c1=S

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 6/20 0.38
ANPEP P15144 6/20 0.38
NR1H2 P55055 1/20 0.37
NR1H3 Q13133 1/20 0.37
KDM4E B2RXH2 2/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP1A2 P05177 2/20 0.33
GLA P06280 2/20 0.33
CYP3A4 P08684 2/20 0.33
GAA P10253 2/20 0.33
CYP2C9 P11712 2/20 0.33
HPGD P15428 2/20 0.33
HSD17B10 Q99714 2/20 0.33
NPEPPS P55786 2/20 0.33
CASP1 P29466 1/20 0.33
TNF P01375 1/20 0.31
PDE4B Q07343 1/20 0.31
PDE4D Q08499 1/20 0.31
LITAF Q99732 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL8584050 0.83 KMT2A (0.40) DPP4ANPEPALDH1A1NPEPPS
SCHEMBL8584396 0.80 FAAH (0.42) DPP4NR1H2NR1H3KDM4EALDH1A1
SCHEMBL8527238 0.76 LPO (0.36) DPP4ALDH1A1GAAHSD17B10MAPT
SCHEMBL8526760 0.71 PKM (0.36)
SCHEMBL8526952 0.67 HSD17B10 (0.38) KDM4EALDH1A1GLAGAAHSD17B10
SCHEMBL9728241 0.67 DPP4 (0.37) DPP4ANPEPNR1H2NR1H3KDM4E
SCHEMBL8476116 0.67 KMT2A (0.54) DPP4ANPEPNR1H2NR1H3GAA
SCHEMBL9728643 0.66 DPP4 (0.39) DPP4ANPEPNR1H2NR1H3KDM4E
SCHEMBL29382416 0.65 DPP4 (0.61) DPP4ANPEPNR1H2NR1H3
SCHEMBL8526206 0.65 MEN1 (0.44) DPP4ANPEPNR1H2NR1H3GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 EP claimed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US claimed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO claimed
EP-0885197-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1998-12-23 EP disclosed
US-5807864-A INCREASING HIGH DENSITY LIPOPROTEIN LEVELS AMERICAN HOME PRODUCTS CORPORATION (US) 1998-09-15 US disclosed
WO-1997032855-A1 2-THIOXOTETRAHYDROPYRIMIDIN-4-ONE DERIVATIVES AMERICAN HOME PRODUCTS CORPORATION (US) 1997-09-12 WO disclosed