SCHEMBL6971990

SCHEMBL6971990

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

nearest known ligand 0.34

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
PPARG P37231 7/20 0.34
P2RX3 P56373 1/20 0.32
KCNH2 Q12809 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
SCHEMBL7081431 0.95 P2RX3 (0.33) PPARGP2RX3KCNH2
SCHEMBL7084939 0.91 PPARG (0.34) PPARGP2RX3KCNH2
SCHEMBL6970500 0.90 P2RX3 (0.34) P2RX3
SCHEMBL6961399 0.88 PPARG (0.35) PPARGKCNH2
SCHEMBL6966865 0.88 P2RX3 (0.33) PPARGP2RX3KCNH2
SCHEMBL6971875 0.87 LMNA (0.41) PPARGKCNH2
SCHEMBL6965758 0.86 ENPP2 (0.34) PPARGKCNH2
SCHEMBL6962831 0.86 P2RX3 (0.34) P2RX3
SCHEMBL6973181 0.85 P2RX3 (0.34) PPARGP2RX3KCNH2
SCHEMBL6974575 0.84 TLR7 (0.35) PPARGKCNH2

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