SCHEMBL3666877

SCHEMBL3666877

CC(C)(C)OC(=O)N(Cc1cc2c(cn1)OCCO2)C1CCc2cc(N)ccc2C1

nearest known ligand 0.36

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
NR1H2 P55055 1/20 0.34
MCHR1 Q99705 11/20 0.33
KCNH2 Q12809 8/20 0.33
HTR2C P28335 6/20 0.33
DRD3 P35462 4/20 0.32
DRD2 P14416 3/20 0.32
NR1H4 Q96RI1 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
SCHEMBL3020655 0.90 MCHR1 (0.34) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL3013221 0.87 MCHR1 (0.35) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL909708 0.79 TACR1 (0.35) KCNH2NR1H4
SCHEMBL3669003 0.78 KCNH2 (0.35) KCNH2
SCHEMBL11999874 0.77 HSD11B1 (0.38) NR1H4
SCHEMBL3028019 0.77 MCHR1 (0.35) MCHR1KCNH2HTR2CDRD3DRD2
SCHEMBL3013394 0.76 KCNH2 (0.34) KCNH2
SCHEMBL4101579 0.76 DRD3 (0.45) NR1H2DRD3DRD2
SCHEMBL4101573 0.76 DRD3 (0.45) NR1H2DRD3DRD2
SCHEMBL4107127 0.76 DRD3 (0.45) NR1H2DRD3DRD2

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-2139898-A1 COMPOUNDS Glaxo Group Limited (GB) 2010-01-06 EP disclosed
WO-2008128961-A1 COMPOUNDS GLAXO GROUP LIMITED (GB) 2008-10-30 WO disclosed