SCHEMBL13867007

SCHEMBL13867007

CC#CCn1c(=O)n(Cc2ccc(C#N)cc2)c2ncnc(N3CCNCC3)c21

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 18/20 0.49
FAP Q12884 5/20 0.44
HRH3 Q9Y5N1 1/20 0.40
KCNH2 Q12809 4/20 0.39
ABCC1 P33527 1/20 0.39
DPP9 Q86TI2 1/20 0.38

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
Trifluoroacetic Acid SCHEMBL3884141 0.93 DPP4 (0.44) DPP4FAPHRH3KCNH2DPP9
SCHEMBL13867042 0.85 DPP4 (0.56) DPP4FAPKCNH2DPP9
SCHEMBL13866920 0.84 DPP4 (0.48) DPP4FAPKCNH2DPP9
SCHEMBL13866997 0.81 DPP4 (0.45) DPP4FAPABCC1DPP9
SCHEMBL13867010 0.81 DPP4 (0.53) DPP4FAPABCC1DPP9
SCHEMBL13867026 0.81 DPP4 (0.56) DPP4FAPDPP9
SCHEMBL13867003 0.80 DPP4 (0.44) DPP4FAPKCNH2DPP9
SCHEMBL13866993 0.80 DPP4 (0.44) DPP4FAPDPP9
SCHEMBL13867002 0.79 DPP4 (0.43) DPP4FAPABCC1DPP9
Trifluoroacetic Acid SCHEMBL3877001 0.79 DPP4 (0.49) DPP4FAPKCNH2DPP9

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