SCHEMBL13875685

SCHEMBL13875685

C=CCn1c(=O)[nH]c2c(N3CCNCC3)nc(OCC)nc21

nearest known ligand 0.40

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
TLR7 Q9NYK1 18/20 0.40
TLR8 Q9NR97 5/20 0.39
HTR3A P46098 1/20 0.35

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
SCHEMBL13876124 0.89 HTR3A (0.37) TLR7TLR8HTR3A
SCHEMBL13875849 0.82 DPP4 (0.39) TLR7TLR8
SCHEMBL13875672 0.78 MAPT (0.38) TLR7TLR8
SCHEMBL13875682 0.78 TLR7 (0.39) TLR7TLR8
SCHEMBL13876308 0.76 TLR7 (0.42) TLR7TLR8
SCHEMBL13866946 0.75 DPP4 (0.43) HTR3A
SCHEMBL13875864 0.72 TLR7 (0.49) TLR7TLR8
Trifluoroacetic Acid SCHEMBL3875625 0.70 DPP4 (0.38)
SCHEMBL13876102 0.69 DPP4 (0.53) TLR7
SCHEMBL13876141 0.69 DPP4 (0.43)

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