SCHEMBL5809686

SCHEMBL5809686

CN1CCN(c2cccnc2CC2CCN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.39
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36
DHFR P00374 1/20 0.35
BTK Q06187 3/20 0.35
HRH3 Q9Y5N1 4/20 0.34
ROCK2 O75116 4/20 0.34
GRM2 Q14416 1/20 0.33
USP2 O75604 1/20 0.33
ALDH1A1 P00352 1/20 0.33
GAA P10253 1/20 0.33
ALOX15 P16050 1/20 0.33
ALOX12 P18054 1/20 0.33
ATM Q13315 1/20 0.33
HSD17B10 Q99714 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PARP14 Q460N5 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
SCHEMBL5809821 0.95 EGLN1 (0.40) EGLN1MEN1POLBKMT2ADHFR
SCHEMBL5812938 0.88 EGLN1 (0.36) EGLN1MEN1POLBKMT2ADHFR
SCHEMBL5210531 0.87 HRH3 (0.35) EGLN1HRH3ROCK2PARP14
SCHEMBL5807977 0.86 EGLN1 (0.41) EGLN1DHFRHRH3USP2ALDH1A1
SCHEMBL5165411 0.85 ROCK2 (0.38) EGLN1HRH3ROCK2
SCHEMBL5822117 0.85 EGLN1 (0.40) EGLN1MEN1KMT2ADHFRHRH3
SCHEMBL5811720 0.84 HRH3 (0.39) EGLN1DHFRHRH3
SCHEMBL5810019 0.84 EGLN1 (0.38) EGLN1DHFRHRH3GRM2
SCHEMBL5808251 0.83 EGLN1 (0.36) EGLN1ROCK2
SCHEMBL5214300 0.82 HRH3 (0.37) EGLN1MEN1POLBKMT2AHRH3

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-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO claimed
WO-2006106416-A1 PYRIDIL-LACTAMS AND THEIR USE 5 -HTl RECEPTORS LIGAN PFIZER PRODUCTS INC. (US) 2006-10-12 WO disclosed