SCHEMBL13876308

SCHEMBL13876308

CCCn1c(=O)[nH]c2c(N3CCNCC3)nc(OC)nc21

nearest known ligand 0.42

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 16/20 0.42
TLR8 Q9NR97 4/20 0.41
ADORA1 P30542 1/20 0.40
ADORA2A P29274 2/20 0.39
ADORA2B P29275 2/20 0.39

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
SCHEMBL13875682 0.91 TLR7 (0.39) TLR7TLR8
SCHEMBL13875864 0.84 TLR7 (0.49) TLR7TLR8
SCHEMBL13876124 0.84 HTR3A (0.37) TLR7TLR8
SCHEMBL13875671 0.84 DPP4 (0.38)
SCHEMBL13876117 0.83 ADORA1 (0.41) TLR7ADORA1ADORA2AADORA2B
SCHEMBL13875849 0.76 DPP4 (0.39) TLR7TLR8
SCHEMBL10244864 0.76 DPP4 (0.49)
SCHEMBL13875685 0.76 TLR7 (0.40) TLR7TLR8
SCHEMBL13875683 0.75 SLC2A1 (0.53)
SCHEMBL13866924 0.74 DPP4 (0.48) ADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7524847-B2 Fused 1,3-dihydro-imidazole ring compounds EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-04-28 US disclosed