SCHEMBL13867002

SCHEMBL13867002

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

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 16/20 0.43
FAP Q12884 5/20 0.38
HTR2C P28335 1/20 0.36
ENPP1 P22413 1/20 0.36
TRPA1 O75762 1/20 0.36
ABCC1 P33527 1/20 0.35
DPP9 Q86TI2 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
Trifluoroacetic Acid SCHEMBL3877720 0.94 DPP4 (0.39) DPP4FAPHTR2CENPP1TRPA1
SCHEMBL13875776 0.86 HTR2C (0.42) HTR2CENPP1ABCC1
SCHEMBL13866997 0.85 DPP4 (0.45) DPP4FAPHTR2CABCC1DPP9
SCHEMBL13867026 0.84 DPP4 (0.56) DPP4FAPHTR2CTRPA1DPP9
SCHEMBL13866888 0.83 DPP4 (0.45) DPP4FAPDPP9
SCHEMBL13867003 0.83 DPP4 (0.44) DPP4FAPHTR2CDPP9
SCHEMBL13866993 0.83 DPP4 (0.44) DPP4FAPHTR2CDPP9
Trifluoroacetic Acid SCHEMBL3874210 0.81 DPP4 (0.39) DPP4FAPHTR2CDPP9
Trifluoroacetic Acid SCHEMBL3881735 0.80 DPP4 (0.48) DPP4FAPHTR2CTRPA1DPP9
SCHEMBL13867010 0.80 DPP4 (0.53) DPP4FAPABCC1DPP9

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