SCHEMBL5320698

SCHEMBL5320698

N#Cc1ccc(C(=O)NCCN2CC3CN(Cc4ccc(C(F)(F)F)cc4C(F)(F)F)CC(C2)O3)cc1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 2/20 0.46
EPHX2 P34913 5/20 0.42
CCR2 P41597 1/20 0.41
CHRM4 P08173 1/20 0.40
NAMPT P43490 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
HDAC4 P56524 1/20 0.39
AR P10275 2/20 0.38
CNR1 P21554 1/20 0.38
RORC P51449 1/20 0.38
DPP4 P27487 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL5316471 0.81 CD274 (0.56) CD274EPHX2CHRM4NAMPTALDH1A1
SCHEMBL5318392 0.79 CD274 (0.58) CD274EPHX2CHRM4NAMPTDPP4
SCHEMBL5314456 0.79 EPHX2 (0.52) CD274EPHX2CHRM4
SCHEMBL5316201 0.78 CD274 (0.51) CD274EPHX2CHRM4NAMPTKCNH2
SCHEMBL5316139 0.78 CD274 (0.51) CD274CHRM4NAMPT
SCHEMBL5315537 0.78 CD274 (0.48) CD274CHRM4NAMPT
SCHEMBL5314554 0.78 KCNH2 (0.53) CD274EPHX2NAMPTKCNH2
SCHEMBL5315942 0.77 CD274 (0.56) CD274EPHX2CHRM4NAMPTDPP4
SCHEMBL5317499 0.77 CD274 (0.56) CD274EPHX2CHRM4NAMPTHPGD
SCHEMBL5318987 0.77 CD274 (0.56) CD274EPHX2CHRM4NAMPTDPP4

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