SCHEMBL13628672

SCHEMBL13628672

CC(C)NOC(CNc1ccccn1)c1ccccc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.55
FDPS P14324 1/20 0.43
PCSK9 Q8NBP7 1/20 0.43
FABP1 P07148 1/20 0.43
FABP6 P51161 1/20 0.43
POLB P06746 1/20 0.43
CXCR4 P61073 1/20 0.41
KDM4E B2RXH2 3/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
HTT P42858 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CYP2C19 P33261 1/20 0.40
CYP1A2 P05177 1/20 0.38
NPC1 O15118 2/20 0.37
GAA P10253 2/20 0.37
RAB9A P51151 2/20 0.37
TP53 P04637 1/20 0.37
TSHR P16473 1/20 0.37

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
SCHEMBL13628525 0.86 CYP2D6 (0.57) CYP2D6FDPSPCSK9FABP1FABP6
SCHEMBL13628514 0.83 HTR7 (0.39) CYP2D6
SCHEMBL291728 0.76 CYP2D6 (0.60) CYP2D6FDPSFABP1FABP6POLB
SCHEMBL13628670 0.76 CYP1A2 (0.46) KDM4EALDH1A1CYP2C19CYP1A2NPC1
SCHEMBL291729 0.76 CYP2D6 (0.60) CYP2D6FDPSFABP1FABP6POLB
SCHEMBL4281005 0.75 CYP2D6 (0.72) CYP2D6FDPSPCSK9FABP1FABP6
SCHEMBL7448193 0.73 CYP2D6 (0.59) CYP2D6FDPSPCSK9FABP1FABP6
SCHEMBL13628956 0.73 CYP2D6 (0.37) CYP2D6POLBKDM4EL3MBTL1ALDH1A1
SCHEMBL10830140 0.71 CYP2D6 (0.53) CYP2D6FDPSPCSK9FABP1FABP6
Phenyramidol SCHEMBL21963 0.71 CYP2D6 (1.00) CYP2D6FDPSFABP1FABP6CXCR4

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
US-7612197-B2 Reacting a nucleophil with OH group with an electrophil to form an adduct, reacting adduct with a reagent selected from oxidizing, sulfurizing or selenizing agents to produce hydroxy protected oligonucleotide, heating to deprotect hydroxy protecting group such as 2-(2-pyridyl)aminoethoxycarbonyl The United States of America as repesented by the Secretary of the Department of Health and Human Services (US) 2009-11-03 US disclosed