SCHEMBL4687652

SCHEMBL4687652

COCCOc1cc(=O)c(O)c2n1CCN(Cc1ccc(Cl)c(Cl)c1)C2=O

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOB P27338 3/20 0.39
ALDH1A1 P00352 4/20 0.38
DRD3 P35462 1/20 0.36
KCNH2 Q12809 1/20 0.36
KDM4E B2RXH2 2/20 0.36
HPGD P15428 1/20 0.36
HTT P42858 1/20 0.36
NAMPT P43490 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MCHR1 Q99705 1/20 0.35
LIPG Q9Y5X9 3/20 0.35
ERCC1 P07992 1/20 0.34
ERCC4 Q92889 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
GRM2 Q14416 1/20 0.34
CCR3 P51677 1/20 0.34

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
SCHEMBL4681372 0.91 GRM2 (0.38) ALDH1A1KCNH2KDM4EHPGDHTT
SCHEMBL4684887 0.89 MAOB (0.42) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4318863 0.82 MAOB (0.41) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4322869 0.81 MAOB (0.44) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4328526 0.80 ALDH1A1 (0.43) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4686277 0.78 NAMPT (0.46) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4335970 0.78 MAOB (0.42) MAOBALDH1A1DRD3KCNH2NAMPT
SCHEMBL4328582 0.78 MAOB (0.42) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4332672 0.78 MAOB (0.42) MAOBALDH1A1DRD3KCNH2KDM4E
SCHEMBL4337990 0.78 MAOB (0.41) MAOBALDH1A1DRD3KCNH2NAMPT

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-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP claimed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO claimed
EP-1973906-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE Virochem Pharma Inc. (CA) 2008-10-01 EP disclosed
WO-2006066414-A1 HYDROXYDIHYDROPYRIDOPY RAZINE-1,8-DIONES AND METHODS FOR INHIBITING HIV INTEGRASE VIROCHEM PHARMA INC. (CA) 2006-06-29 WO disclosed