SCHEMBL3658892

SCHEMBL3658892

CC(C)COC(=O)N1CCC(C)(NCc2ccc(Cl)c(Cl)c2)CC1

nearest known ligand 0.46

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 1/20 0.46
TACR1 P25103 9/20 0.42
TSHR P16473 2/20 0.41
KIT P10721 1/20 0.41
MAPT P10636 1/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 1/20 0.40
ATXN2 Q99700 1/20 0.40
TAOK1 Q7L7X3 1/20 0.39
TAOK3 Q9H2K8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.38

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
SCHEMBL3658891 0.83 SMN1; SMN2 (0.46) HRH3TACR1TSHRMAPTHTT
SCHEMBL3661150 0.77 MGLL (0.44) TSHRENPP2
SCHEMBL5196730 0.70 HDAC3 (0.46) TSHRMAPK1HTTSMN1; SMN2
SCHEMBL15544614 0.69 CYP2D6 (0.39) KITL3MBTL1
SCHEMBL3984899 0.69 OPRM1 (0.41) TACR1KITMAPTMAPK1HTT
SCHEMBL6174943 0.69 RORC (0.38) KITMAPTMAPK1HTT
SCHEMBL3661079 0.69 PRMT5 (0.50) TSHRSMN1; SMN2L3MBTL1
SCHEMBL14279760 0.68 ANO1 (0.47) TACR1TSHRMAPTHTTSMN1; SMN2
SCHEMBL6229595 0.68 HTT (0.49) TSHRKITMAPTMAPK1HTT
SCHEMBL20571140 0.68 SMN1; SMN2 (0.41) MAPTHTTSMN1; SMN2

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
EP-2238135-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS Glaxo Group Limited (GB) 2010-10-13 EP disclosed
WO-2009090222-A1 NAPHTHYRIDIN-2(1H) -ONE COMPOUNDS USEFUL AS ANTIBACTERIALS GLAXO GROUP LIMITED (GB) 2009-07-23 WO disclosed