SCHEMBL6973181

SCHEMBL6973181

CC(C)c1nc(CCOC(N)=O)n(Cc2ccc(=O)[nH]c2)c1Sc1cc(Cl)cc(Cl)c1

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 9/20 0.34
PPARG P37231 4/20 0.31
KCNH2 Q12809 1/20 0.30

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
SCHEMBL7084939 0.95 PPARG (0.34) P2RX3PPARGKCNH2
SCHEMBL6962868 0.92 P2RX3 (0.35) P2RX3KCNH2
SCHEMBL7081431 0.90 P2RX3 (0.33) P2RX3PPARGKCNH2
SCHEMBL6966285 0.88 P2RX3 (0.33) P2RX3PPARG
SCHEMBL7087497 0.87 P2RX3 (0.36) P2RX3PPARGKCNH2
SCHEMBL6973396 0.86 PIM1 (0.34) P2RX3KCNH2
SCHEMBL6961149 0.85 P2RX3 (0.35) P2RX3PPARGKCNH2
SCHEMBL6971990 0.85 PPARG (0.34) P2RX3PPARGKCNH2
SCHEMBL6969568 0.85 P2RX3 (0.37) P2RX3KCNH2
SCHEMBL6962314 0.84 L3MBTL1 (0.36)

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