SCHEMBL5319745

SCHEMBL5319745

CN(Cc1ccc(C#N)cc1)C(=O)CN1CC2CN(CCc3ccccc3)CC(C1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
ALDH1A1 P00352 1/20 0.43
POLB P06746 1/20 0.43
CCR5 P51681 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
KCNJ1 P48048 2/20 0.41
KCNH2 Q12809 2/20 0.41
AGTR2 P50052 1/20 0.41
AR P10275 1/20 0.41
TSPO P30536 1/20 0.41
OPRM1 P35372 2/20 0.41
CHRM2 P08172 1/20 0.40
CHRM1 P11229 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1A P08908 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
HRH1 P35367 1/20 0.40
NPC1 O15118 2/20 0.40

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
SCHEMBL5314383 0.88 CCR1 (0.39) KMT2AMEN1ALDH1A1POLBCCR5
SCHEMBL5317628 0.87 NSD2 (0.41) KMT2AMEN1ALDH1A1POLBCCR5
SCHEMBL5317011 0.87 KCNH2 (0.47) MEN1KCNH2HRH1NPC1RAB9A
SCHEMBL5320812 0.85 NSD2 (0.42) KMT2AMEN1ALDH1A1POLBCCR5
SCHEMBL5314580 0.85 CCR5 (0.39) KMT2AMEN1ALDH1A1POLBCCR5
SCHEMBL5317641 0.82 MEN1 (0.42) KMT2AMEN1CCR5L3MBTL1KCNJ1
SCHEMBL5315877 0.81 ABCB1 (0.48) KMT2AMEN1ALDH1A1POLBL3MBTL1
SCHEMBL4523456 0.80 KCNH2 (0.41) L3MBTL1KCNJ1KCNH2ARCHRM2
SCHEMBL5317617 0.80 CCR5 (0.41) KMT2AMEN1CCR5L3MBTL1OPRM1
SCHEMBL2967576 0.79 KCNH2 (0.47) L3MBTL1KCNJ1KCNH2

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