SCHEMBL5314736

SCHEMBL5314736

N#Cc1ccc(CNC(=O)CN2CC3CN(Cc4ccc(F)cc4)CC(C2)O3)cc1

nearest known ligand 0.50

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.50
POLB P06746 1/20 0.48
TP53 P04637 2/20 0.47
CXCR3 P49682 2/20 0.45
SMN1; SMN2 Q16637 1/20 0.45
PRKAA2 P54646 3/20 0.45
DRD2 P14416 4/20 0.43
DRD3 P35462 3/20 0.43
MAPT P10636 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 1/20 0.42
HTR6 P50406 1/20 0.42

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
SCHEMBL5314851 0.95 POLB (0.53) KMT2APOLBPRKAA2DRD2DRD3
SCHEMBL5318355 0.91 POLB (0.60) KMT2APOLBMAPT
SCHEMBL5315856 0.91 POLB (0.49) KMT2APOLBDRD2HTR1AHTR7
SCHEMBL5314874 0.90 POLB (0.54) KMT2APOLBSMN1; SMN2DRD2HTR1A
SCHEMBL5317453 0.90 KMT2A (0.48) KMT2APOLBTP53SMN1; SMN2DRD2
SCHEMBL5315911 0.89 POLB (0.46) POLBTP53SMN1; SMN2
SCHEMBL5317191 0.86 POLB (0.44) KMT2APOLBSMN1; SMN2
SCHEMBL5336527 0.86 KCNH2 (0.51) KMT2APOLBSMN1; SMN2PRKAA2DRD2
SCHEMBL5315946 0.86 KCNH2 (0.51) KMT2APOLBSMN1; SMN2PRKAA2DRD2
SCHEMBL5316192 0.86 HTT (0.52) KMT2APOLBDRD2HTR1AHTR7

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