SCHEMBL13876124

SCHEMBL13876124

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

nearest known ligand 0.37

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HTR3A P46098 1/20 0.37
ALDH1A1 P00352 3/20 0.37
GAA P10253 1/20 0.37
TLR7 Q9NYK1 12/20 0.35
MAPT P10636 1/20 0.35
TLR8 Q9NR97 4/20 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
SCHEMBL13875685 0.89 TLR7 (0.40) HTR3ATLR7TLR8
SCHEMBL13875682 0.86 TLR7 (0.39) TLR7TLR8
SCHEMBL13876308 0.84 TLR7 (0.42) TLR7TLR8
SCHEMBL13875864 0.82 TLR7 (0.49) TLR7TLR8
SCHEMBL13875671 0.80 DPP4 (0.38) ALDH1A1GAAMAPT
SCHEMBL13875885 0.76 SLC2A1 (0.42) HTR3AALDH1A1GAA
SCHEMBL13875672 0.76 MAPT (0.38) ALDH1A1GAATLR7MAPTTLR8
SCHEMBL13866918 0.74 DPP4 (0.44) HTR3AMAPT
SCHEMBL10244864 0.74 DPP4 (0.49)
SCHEMBL13875683 0.73 SLC2A1 (0.53) HTR3AALDH1A1

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