SCHEMBL5807977

SCHEMBL5807977

CCN1CCN(c2cccnc2CC2CCCN(c3ccc(C4CCOCC4)cc3)C2=O)CC1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.41
HRH3 Q9Y5N1 5/20 0.35
UTS2R Q9UKP6 1/20 0.33
DHFR P00374 1/20 0.33
KCNH2 Q12809 1/20 0.33
EBP Q15125 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
NR4A1 P22736 1/20 0.32
ESR2 Q92731 1/20 0.32
TRPC5 Q9UL62 1/20 0.32
PTK2 Q05397 1/20 0.32
SYK P43405 1/20 0.32
PIK3CA P42336 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
SCHEMBL5822117 0.92 EGLN1 (0.40) EGLN1HRH3DHFRTRPC5
SCHEMBL5809821 0.91 EGLN1 (0.40) EGLN1HRH3DHFRKCNH2
SCHEMBL5810019 0.88 EGLN1 (0.38) EGLN1HRH3DHFR
SCHEMBL5811720 0.86 HRH3 (0.39) EGLN1HRH3DHFRKCNH2
SCHEMBL5809686 0.86 EGLN1 (0.39) EGLN1HRH3DHFRUSP2ALDH1A1
SCHEMBL5811721 0.85 HRH3 (0.42) HRH3
SCHEMBL5214300 0.79 HRH3 (0.37) EGLN1HRH3KCNH2
SCHEMBL5166374 0.78 ELANE (0.38) EGLN1HRH3
SCHEMBL5812938 0.78 EGLN1 (0.36) EGLN1HRH3DHFRPTK2
SCHEMBL5810004 0.77 EGLN1 (0.38) EGLN1HRH3

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