SCHEMBL7092543

SCHEMBL7092543

CN(C(N)=O)C(COc1ccc(C#N)cc1)CN1CC2CC(CN(CC(=O)c3ccc4c(c3)OCCO4)C2)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
USP2 O75604 2/20 0.42
GRIN1 Q05586 2/20 0.41
GRIN2B Q13224 2/20 0.41
SMN1; SMN2 Q16637 6/20 0.39
LMNA P02545 4/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
CTSZ Q9UBR2 1/20 0.37
KDM1A O60341 1/20 0.37
CTNNB1 P35222 2/20 0.36
TSHR P16473 2/20 0.36
KMT2A Q03164 1/20 0.36
VNN1 O95497 1/20 0.36
MAPK1 P28482 2/20 0.36
WNT3A P56704 1/20 0.35
TP53 P04637 1/20 0.35
GAA P10253 1/20 0.35

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
SCHEMBL7034957 0.86 KDM4E (0.46) MAPTUSP2GRIN1GRIN2BSMN1; SMN2
SCHEMBL7027068 0.82 USP2 (0.42) MAPTUSP2GRIN1GRIN2BSMN1; SMN2
SCHEMBL6995893 0.79 KCNH2 (0.40) GRIN1GRIN2BALDH1A1KDM4EKDM1A
SCHEMBL2961524 0.78 KCNH2 (0.54) MAPTUSP2GRIN1GRIN2BSMN1; SMN2
SCHEMBL7028492 0.76 KDM4E (0.43) MAPTUSP2SMN1; SMN2LMNANPC1
SCHEMBL5965991 0.75 USP2 (0.44) MAPTUSP2GRIN1GRIN2BSMN1; SMN2
SCHEMBL6990334 0.75 HRH2 (0.38) GRIN1GRIN2BKDM1AKCNH2
SCHEMBL6992363 0.75 KCNH2 (0.40) KDM1AKCNH2
SCHEMBL6987304 0.74 MCHR1 (0.46) MAPTKCNH2
SCHEMBL6994724 0.74 HRH2 (0.42) KDM1AKCNH2L3MBTL1

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-1301510-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS AstraZeneca AB (SE) 2003-04-16 EP disclosed
WO-2002004446-A1 NEW BISPIDINE COMPOUNDS AND THEIR USE IN THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2002-01-17 WO disclosed