SCHEMBL5047629

SCHEMBL5047629

O=C(NC1CCN(CCc2cc3c(F)cc(F)cc3[nH]c2=O)CC1)c1ccc(N2CCOCC2)nc1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HPGDS O60760 5/20 0.56
HTR2A P28223 8/20 0.52
DRD3 P35462 8/20 0.52
DRD2 P14416 3/20 0.47
USP30 Q70CQ3 3/20 0.47
PARP1 P09874 2/20 0.45
TNK2 Q07912 1/20 0.45
TNK1 Q13470 1/20 0.45
MAPK8 P45983 1/20 0.43

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
SCHEMBL706235 0.80 HPGDS (0.59) HPGDSHTR2ADRD3DRD2USP30
SCHEMBL5050050 0.78 DRD3 (0.47) HTR2ADRD3DRD2
SCHEMBL5051136 0.72 MAPT (0.54) HTR2ADRD3
SCHEMBL225392 0.72 HTR2A (0.68) HPGDSHTR2ADRD3DRD2
SCHEMBL229317 0.70 HTR2A (0.69) HPGDSHTR2ADRD3DRD2USP30
SCHEMBL357880 0.69 USP30 (0.72) HPGDSHTR2ADRD3DRD2USP30
SCHEMBL4193280 0.68 HTR2A (1.00) HTR2ADRD3
SCHEMBL604653 0.68 HTR2A (1.00) HTR2ADRD3
SCHEMBL29960440 0.66 PARP1 (0.75) PARP1
SCHEMBL29115541 0.66 PARP1 (0.75) PARP1

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-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP claimed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO claimed
EP-1893599-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS AstraZeneca AB (SE) 2008-03-05 EP disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed