SCHEMBL13875889

SCHEMBL13875889

C#CCn1c(=O)n(CC)c2c(N3CCNCC3)ncnc21

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 5/20 0.43
TLR7 Q9NYK1 2/20 0.41
ADORA2B P29275 3/20 0.39
ALDH1A1 P00352 2/20 0.38
GLA P06280 1/20 0.34
BLM P54132 1/20 0.34
ABCC1 P33527 1/20 0.34
ADORA3 P0DMS8 1/20 0.34
DPP4 P27487 1/20 0.34
ENPP1 P22413 1/20 0.33
KDM4E B2RXH2 1/20 0.33
NPC1 O15118 1/20 0.33
TP53 P04637 1/20 0.32
TLR9 Q9NR96 1/20 0.32

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
SCHEMBL13866997 0.88 DPP4 (0.45) HTR2CTLR7ADORA2BGLABLM
SCHEMBL13875892 0.83 HTR2C (0.44) HTR2CTLR7ADORA2BALDH1A1ENPP1
SCHEMBL13875686 0.82 HTR2C (0.43) HTR2CTLR7ADORA2BALDH1A1ENPP1
SCHEMBL13875776 0.81 HTR2C (0.42) HTR2CTLR7ALDH1A1ABCC1ENPP1
Trifluoroacetic Acid SCHEMBL3874210 0.81 DPP4 (0.39) HTR2CADORA2BDPP4
SCHEMBL13876133 0.77 DPP4 (0.57) DPP4KDM4E
SCHEMBL13867003 0.75 DPP4 (0.44) HTR2CDPP4
SCHEMBL13867026 0.74 DPP4 (0.56) HTR2CTLR7DPP4
SCHEMBL13866993 0.73 DPP4 (0.44) HTR2CTLR7ADORA2BDPP4
SCHEMBL13867010 0.73 DPP4 (0.53) ALDH1A1ABCC1DPP4TP53

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