SCHEMBL4950028

SCHEMBL4950028

CC1CCCN(OC(=O)Nc2ccnc(N3CCN(C4CCCC4)CC3)c2)C1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 2/20 0.42
SCN10A Q9Y5Y9 2/20 0.39
GRIN2D O15399 2/20 0.39
GRIN3B O60391 2/20 0.39
GRIN1 Q05586 2/20 0.39
GRIN2A Q12879 2/20 0.39
GRIN2B Q13224 2/20 0.39
GRIN2C Q14957 2/20 0.39
GRIN3A Q8TCU5 2/20 0.39
ALDH1A1 P00352 3/20 0.36
TP53 P04637 1/20 0.36
WNT1 P04628 2/20 0.36
GSK3B P49841 2/20 0.36
DYRK1A Q13627 2/20 0.36
MAPT P10636 2/20 0.36
SHMT2 P34897 1/20 0.36
MCHR1 Q99705 1/20 0.36
ADRA1A P35348 2/20 0.36
POLB P06746 1/20 0.36
PROKR1 Q8TCW9 2/20 0.35

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
SCHEMBL4947825 0.89 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4950777 0.89 HRH3 (0.45) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4950151 0.88 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949632 0.88 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4952441 0.85 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949845 0.84 HRH3 (0.43) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949370 0.83 HRH3 (0.46) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4948641 0.83 HRH3 (0.45) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4949505 0.83 HRH3 (0.44) HRH3GRIN2DGRIN3BGRIN1GRIN2A
SCHEMBL4947619 0.83 GRIN2D (0.51) HRH3GRIN2DGRIN3BGRIN1GRIN2A

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
EP-1828134-B1 PIPERAZINYL PYRIDINE DERIVATIVES AS ANTI-OBESITY AGENTS HOFFMANN LA ROCHE (CH) 2008-10-29 EP claimed