SCHEMBL11089655

SCHEMBL11089655

CCc1noc(C)c1-c1[nH]c2ccc(F)cc2c1C(O)CCN(C)C

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TLR9 Q9NR96 12/20 0.37
TLR8 Q9NR97 12/20 0.37
TLR7 Q9NYK1 12/20 0.37
MPO P05164 3/20 0.34
BRD4 O60885 1/20 0.33
BRD2 P25440 1/20 0.33
BRD3 Q15059 1/20 0.33
XDH P47989 1/20 0.33

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
SCHEMBL10831731 0.90 TLR8 (0.34) TLR9TLR8TLR7BRD4BRD2
SCHEMBL11087615 0.89 BRD4 (0.39) TLR9TLR8TLR7MPOBRD4
SCHEMBL10831913 0.87 HTR6 (0.35) TLR9TLR8TLR7MPOBRD4
SCHEMBL10832528 0.84 KMT2A (0.41) TLR9TLR8TLR7
SCHEMBL10950276 0.81 TLR9 (0.37) TLR9TLR8TLR7BRD4
SCHEMBL10831601 0.81 BRD4 (0.36) TLR9TLR8TLR7BRD4BRD2
SCHEMBL10831728 0.81 BRD4 (0.34) TLR9TLR8TLR7BRD4BRD2
SCHEMBL11086175 0.80 GABRA1 (0.39) TLR9TLR8TLR7BRD4
SCHEMBL10951508 0.79 HTR2A (0.38) TLR9TLR8TLR7BRD4
SCHEMBL10832147 0.77 ALDH1A1 (0.40) BRD4BRD2BRD3

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
US-4467096-A ANTIDIABETIC AGENTS, INTERMEDIATES THEREFOR SANDOZ, INC. (US) 1984-08-21 US disclosed
US-4421752-A ANTIDIABETIC AGENT SANDOZ, INC. (US) 1983-12-20 US disclosed
US-4336391-A ANTIDIABETIC AGENTS SANDOZ, INC. (US) 1982-06-22 US disclosed