SCHEMBL5810019

SCHEMBL5810019

O=C1C(Cc2ncccc2N2CCNCC2)CCCN1c1ccc(C2CCOCC2)cc1

nearest known ligand 0.38

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
EGLN1 Q9GZT9 2/20 0.38
HTR6 P50406 7/20 0.37
HTR2A P28223 2/20 0.37
HRH3 Q9Y5N1 6/20 0.35
SLC6A4 P31645 2/20 0.34
HTR2C P28335 1/20 0.34
PDE9A O76083 1/20 0.34
HTR1A P08908 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A3 Q01959 1/20 0.33
DHFR P00374 1/20 0.33
GRM2 Q14416 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 0.90 EGLN1 (0.40) EGLN1HRH3PDE9ADHFRGRM2
SCHEMBL5807977 0.88 EGLN1 (0.41) EGLN1HRH3DHFR
SCHEMBL5822117 0.86 EGLN1 (0.40) EGLN1HRH3PDE9AHTR1ADHFR
SCHEMBL5811720 0.86 HRH3 (0.39) EGLN1HRH3PDE9ADHFR
SCHEMBL5809686 0.84 EGLN1 (0.39) EGLN1HRH3DHFRGRM2
SCHEMBL5811721 0.83 HRH3 (0.42) HRH3
SCHEMBL5214300 0.77 HRH3 (0.37) EGLN1HTR2AHRH3PDE9A
SCHEMBL5812938 0.75 EGLN1 (0.36) EGLN1HRH3DHFRGRM2
SCHEMBL5166374 0.75 ELANE (0.38) EGLN1HRH3
SCHEMBL5810004 0.75 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