SCHEMBL5807403

SCHEMBL5807403

CNCCNC(=O)c1cccc(C(=O)N(C)CCOC(=O)N(c2ccccc2-c2ccccc2)N2CC[CH]CC2)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD2 Q9NRG4 1/20 0.35
HCRTR2 O43614 2/20 0.34
ATR Q13535 1/20 0.34
HCRTR1 O43613 1/20 0.34
SIGMAR1 Q99720 4/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
KDM4E B2RXH2 1/20 0.33
FYN P06241 2/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
PRMT8 Q9NR22 1/20 0.33
CD274 Q9NZQ7 1/20 0.33
TMEM97 Q5BJF2 3/20 0.33
CHRM2 P08172 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRM3 P20309 1/20 0.33
CHEK1 O14757 1/20 0.33
ROCK2 O75116 1/20 0.32
ALDH1A1 P00352 1/20 0.32

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
SCHEMBL5275991 0.92 ATR (0.35) SMYD2HCRTR2ATRSIGMAR1MEN1
SCHEMBL5800718 0.85 ATR (0.36) ATRMEN1KMT2AKDM4EALDH1A1
SCHEMBL5273742 0.85 NAMPT (0.35) ATRSIGMAR1KDM4ECD274TMEM97
SCHEMBL5273313 0.84 ATR (0.36) ATRMEN1KMT2AKDM4EALDH1A1
SCHEMBL5810881 0.82 SMN1; SMN2 (0.37) SMYD2KDM4ECHEK1ALDH1A1MAPT
SCHEMBL5823987 0.80 KMT2A (0.31) ATRMEN1KMT2AMAPT
SCHEMBL5275258 0.79 ATR (0.34) ATRMEN1KMT2AKDM4EALDH1A1
SCHEMBL5279743 0.79 ALDH1A1 (0.37) ATRMEN1KMT2AKDM4ECHRM2
SCHEMBL5277443 0.78 SMN1; SMN2 (0.34) SMYD2KDM4EFYNCD274ALDH1A1
SCHEMBL5276249 0.77 SMYD2 (0.33) SMYD2KDM4ECD274CHEK1ALDH1A1

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-2006099091-A1 BIPHENYL COMPOUNDS USEFUL AS MUSCARINIC RECEPTOR ANTAGONISTS THERAVANCE, INC. (US) 2006-09-21 WO disclosed