SCHEMBL5317641

SCHEMBL5317641

CN(CCN1CC2CN(CCc3ccccc3)CC(C1)O2)C(=O)c1ccc(C#N)cc1

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.42
NPC1 O15118 1/20 0.42
KMT2A Q03164 1/20 0.42
MCHR1 Q99705 1/20 0.42
MLYCD O95822 2/20 0.42
NSD2 O96028 1/20 0.42
NAMPT P43490 1/20 0.41
SIGMAR1 Q99720 2/20 0.41
ACHE P22303 1/20 0.41
TMEM97 Q5BJF2 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KCNH2 Q12809 2/20 0.39
OPRM1 P35372 2/20 0.39
OPRD1 P41143 2/20 0.39
ADRA1A P35348 1/20 0.39
ADRA1B P35368 1/20 0.39
OPRK1 P41145 1/20 0.39
KCNJ1 P48048 1/20 0.39
CCR5 P51681 1/20 0.39

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
SCHEMBL5341837 0.87 NSD2 (0.41) MEN1NPC1KMT2AMCHR1NSD2
SCHEMBL5316232 0.83 NSD2 (0.42) NSD2KCNH2
SCHEMBL5319745 0.82 KMT2A (0.43) MEN1NPC1KMT2AL3MBTL1KCNH2
SCHEMBL5317617 0.82 CCR5 (0.41) MEN1KMT2AL3MBTL1OPRM1CCR5
SCHEMBL3127651 0.81 KCNH2 (0.40) SIGMAR1L3MBTL1KCNH2KCNJ1
SCHEMBL5316853 0.80 FAAH (0.40) MEN1KMT2ANSD2SIGMAR1KCNH2
SCHEMBL5316884 0.80 KCNH2 (0.38) MEN1KMT2ANSD2SIGMAR1ACHE
SCHEMBL5317478 0.80 CCR3 (0.54) NAMPTSIGMAR1TMEM97OPRD1
SCHEMBL4512066 0.79 KCNH2 (0.41) MEN1NPC1L3MBTL1KCNH2OPRM1
SCHEMBL5535795 0.79 HRH1 (0.46) MEN1SIGMAR1KCNH2OPRM1

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 claimed