SCHEMBL5047682

SCHEMBL5047682

O=C(O)NC1CCN(CCc2nc3cc(F)ccc3[nH]c2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 8/20 0.41
DYRK1A Q13627 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
HDAC6 Q9UBN7 1/20 0.39
MCHR1 Q99705 1/20 0.39
CXCR3 P49682 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
GLA P06280 1/20 0.39
LMNA P02545 1/20 0.38
TSHR P16473 1/20 0.38
DRD4 P21917 1/20 0.38

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
SCHEMBL5047886 0.88 SIGMAR1 (0.38) DYRK1ACXCR3SIGMAR1DRD4
SCHEMBL5048771 0.80 KCNH2 (0.46)
SCHEMBL3838947 0.73 MPO (0.40) CCR3LMNATSHR
SCHEMBL3847249 0.71 HRH4 (0.42) DRD4
SCHEMBL3847577 0.70 SLC40A1 (0.39) LMNA
SCHEMBL921167 0.70 KCNH2 (0.46) L3MBTL1GLATSHR
SCHEMBL6079889 0.70 KCNH2 (0.47) DYRK1AL3MBTL1SIGMAR1
SCHEMBL4758202 0.70 POLB (0.43)
SCHEMBL921593 0.69 CNR2 (0.46) CCR3MCHR1
SCHEMBL6080763 0.69 CNR2 (0.44) DYRK1ASIGMAR1

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 2 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 disclosed
WO-2006134378-A1 COMPOUNDS FOR THE TREATMENT OF MULTI-DRUG RESISTANT BACTERIAL INFECTIONS ASTRAZENECA AB (SE) 2006-12-21 WO disclosed