SCHEMBL5314554

SCHEMBL5314554

N#Cc1ccc(C(=O)NCCN2CC3CN(CCc4ccc(F)cc4F)CC(C2)O3)cc1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 7/20 0.53
HTR2A P28223 6/20 0.51
HTR2C P28335 5/20 0.51
CD274 Q9NZQ7 2/20 0.48
DRD2 P14416 3/20 0.48
EPHX2 P34913 4/20 0.46
NAMPT P43490 2/20 0.45
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
CYP2J2 P51589 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
SCHEMBL5336551 0.87 EPHX2 (0.52) KCNH2HTR2AHTR2CCD274EPHX2
SCHEMBL5319119 0.84 CD274 (0.49) KCNH2CD274DRD2EPHX2NAMPT
SCHEMBL5318987 0.83 CD274 (0.56) KCNH2CD274DRD2EPHX2NAMPT
SCHEMBL5314456 0.83 EPHX2 (0.52) CD274EPHX2CYP2C9CYP2C19CYP2J2
SCHEMBL3131750 0.82 KCNH2 (0.65) KCNH2HTR2AHTR2CDRD2
SCHEMBL5318392 0.81 CD274 (0.58) KCNH2CD274DRD2EPHX2NAMPT
SCHEMBL5317478 0.81 CCR3 (0.54) CD274DRD2NAMPT
SCHEMBL5316201 0.80 CD274 (0.51) KCNH2CD274DRD2EPHX2NAMPT
SCHEMBL5315274 0.80 CD274 (0.53) KCNH2CD274DRD2EPHX2NAMPT
SCHEMBL5314744 0.79 CD274 (0.54) KCNH2CD274

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