SCHEMBL27878469

SCHEMBL27878469

COc1ccc(-c2ccc3[nH]c(C4CCN(C(=O)C(Cc5cccs5)OC(=O)NC(C)(C)C)CC4)cc3c2)cc1OC

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 8/20 0.37
TLR8 Q9NR97 7/20 0.37
TLR9 Q9NR96 4/20 0.37
ALDH1A1 P00352 3/20 0.36
NPSR1 Q6W5P4 1/20 0.36
ABCB1 P08183 1/20 0.36
HCRTR1 O43613 1/20 0.36
HCRTR2 O43614 1/20 0.36
HSD17B10 Q99714 1/20 0.36
F2 P00734 1/20 0.36
F10 P00742 1/20 0.36
PLG P00747 1/20 0.36
PLAU P00749 1/20 0.36
ST14 Q9Y5Y6 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.35
PDE4B Q07343 1/20 0.35
KDM4E B2RXH2 2/20 0.34
HPGD P15428 2/20 0.34
POLB P06746 1/20 0.34
KMT2A Q03164 1/20 0.34

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
SCHEMBL1981326 0.87 DPP4 (0.42) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1981327 0.87 DPP4 (0.42) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1980557 0.85 CTSS (0.41) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1980560 0.85 CTSS (0.41) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL27878467 0.83 TLR7 (0.37) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1983514 0.74 HTR2B (0.50) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1983513 0.74 HTR2B (0.50) TLR7TLR8TLR9ALDH1A1NPSR1
SCHEMBL1980796 0.73 TLR7 (0.53) TLR7TLR8ABCB1PDE4BKDM4E
SCHEMBL1982922 0.73 HTR2B (0.46) TLR7TLR8TLR9ALDH1A1HSD17B10
SCHEMBL1982924 0.73 HTR2B (0.46) TLR7TLR8TLR9ALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-102753524-B Bicyclic derivatives useful as inhibitors of dpp-1 ANSSEN PHARMACEUTICA NV 2014-11-05 CN disclosed
CN-102753524-A Bicyclic derivatives useful as inhibitors of dpp-1 ANSSEN PHARMACEUTICA NV 2012-10-24 CN disclosed