SCHEMBL6961563

SCHEMBL6961563

CC(C)c1nc(COCCOC(N)=O)n(Cc2ccccn2)c1Sc1cc(F)cc(F)c1

nearest known ligand 0.37

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
S1PR3 Q99500 15/20 0.37
PLA2G2A P14555 1/20 0.32
TLR7 Q9NYK1 1/20 0.31
GRM5 P41594 1/20 0.31
SCN9A Q15858 1/20 0.31
PPARG P37231 1/20 0.31
PPARA Q07869 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
SCHEMBL6969000 0.94 S1PR3 (0.36) S1PR3PLA2G2AGRM5
SCHEMBL6968357 0.93 S1PR3 (0.37) S1PR3PPARGPPARA
SCHEMBL6972492 0.93 S1PR3 (0.38) S1PR3PLA2G2A
SCHEMBL7084640 0.93 S1PR3 (0.39) S1PR3PLA2G2ATLR7GRM5
SCHEMBL6972895 0.91 S1PR3 (0.37) S1PR3PLA2G2ATLR7
SCHEMBL6967466 0.91 ALDH1A1 (0.33) PLA2G2ATLR7
SCHEMBL7081480 0.90 ADRA1D (0.34) S1PR3PLA2G2ATLR7GRM5
SCHEMBL7081701 0.88 S1PR3 (0.34) S1PR3TLR7
SCHEMBL6970942 0.87 MAPT (0.35) PLA2G2AGRM5
SCHEMBL6973461 0.87 S1PR3 (0.39) S1PR3GRM5

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0786455-B1 IMIDAZOLE DERIVATIVE SHIONOGI & CO (JP) 2003-12-03 EP disclosed
US-6147097-A METHOD FOR TREATING AIDS SHIONOGI & CO., LTD. (JP) 2000-11-14 US disclosed
EP-0786455-A1 IMIDAZOLE DERIVATIVE SHIONOGI & CO., LTD. (JP) 1997-07-30 EP disclosed