SCHEMBL5340709

SCHEMBL5340709

N#Cc1ccc(CNC(=O)CN2CC3CN(CCc4ccc(OC(F)F)cc4)CC(C2)O3)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.41
POLB P06746 1/20 0.40
CYP2C19 P33261 1/20 0.38
LMNA P02545 2/20 0.38
SMN1; SMN2 Q16637 2/20 0.38
TSHR P16473 1/20 0.38
CHRNA7 P36544 1/20 0.38
KCNJ1 P48048 1/20 0.37
TRPA1 O75762 1/20 0.37
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
DRD2 P14416 7/20 0.36
HTR1A P08908 4/20 0.36
HTR7 P34969 2/20 0.36
HTR6 P50406 2/20 0.36
ALDH1A1 P00352 1/20 0.36
JAK2 O60674 1/20 0.35
JAK1 P23458 1/20 0.35
TYK2 P29597 1/20 0.35
JAK3 P52333 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
SCHEMBL5317191 0.91 POLB (0.44) KCNH2POLBCYP2C19LMNASMN1; SMN2
SCHEMBL5319733 0.90 POLB (0.48) KCNH2POLBTSHRKCNJ1HTT
SCHEMBL5331515 0.88 LMNA (0.50) KCNH2POLBLMNASMN1; SMN2TSHR
SCHEMBL5317453 0.87 KMT2A (0.48) KCNH2POLBSMN1; SMN2KCNJ1DRD2
SCHEMBL5317594 0.86 HTR1A (0.40) KCNH2POLBTSHRHTTDRD2
SCHEMBL5316699 0.84 CA1 (0.44) KCNH2POLBCHRNA7KCNJ1ALDH1A1
SCHEMBL5316522 0.84 POLB (0.43) KCNH2POLBSMN1; SMN2TSHRKCNJ1
SCHEMBL5314874 0.83 POLB (0.54) POLBLMNASMN1; SMN2TSHRHTT
SCHEMBL5315892 0.83 POLB (0.45) KCNH2POLBCHRNA7KCNJ1DRD2
SCHEMBL5343106 0.82 KCNH2 (0.48) KCNH2POLBLMNAKCNJ1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2007069986-A1 NEW OXABISPIDINE COMPOUNDS FOR THE TREATMENT OF CARDIAC ARRHYTHMIAS ASTRAZENECA AB (SE) 2007-06-21 WO disclosed