SCHEMBL8028507

SCHEMBL8028507

CC(C)(C)OC(=O)NC1=N[C@@]2(c3cccc(N=C(c4ccccc4)c4ccccc4)c3)CCOCC2S1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HCRTR1 O43613 1/20 0.34
HCRTR2 O43614 1/20 0.34
NPFFR1 Q9GZQ6 1/20 0.32
NPFFR2 Q9Y5X5 1/20 0.32
ITGB3 P05106 1/20 0.31
ITGB1 P05556 1/20 0.31
ITGAV P06756 1/20 0.31
ITGA2B P08514 1/20 0.31
ITGB5 P18084 1/20 0.31

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
SCHEMBL2620086 1.00 HCRTR1 (0.34) HCRTR1HCRTR2NPFFR1NPFFR2ITGB3
SCHEMBL2934194 0.88 USP2 (0.33)
SCHEMBL8028509 0.83 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2620087 0.83 HCRTR1 (0.38) HCRTR1HCRTR2
SCHEMBL2109611 0.80
SCHEMBL14299101 0.77 HCRTR1 (0.36) HCRTR1HCRTR2
SCHEMBL6878525 0.72 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL932766 0.72 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL6874988 0.72 HCRTR1 (0.37) HCRTR1HCRTR2
SCHEMBL966555 0.72 HCRTR1 (0.37) HCRTR1HCRTR2

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed