SCHEMBL13866899

SCHEMBL13866899

CC#CCn1c(=O)n(-c2ccccc2)c2nc(Cl)nc(N3CCNCC3)c21

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 19/20 0.51
DPP9 Q86TI2 1/20 0.46
FAP Q12884 6/20 0.43
CHRM1 P11229 2/20 0.40
KCNH2 Q12809 2/20 0.38
USP2 O75604 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP3A4 P08684 1/20 0.37
HPGD P15428 1/20 0.37
CASP1 P29466 1/20 0.37
CASP7 P55210 1/20 0.37
HSD17B10 Q99714 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37

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 SCHEMBL3885657 0.93 DPP4 (0.46) DPP4DPP9FAPCHRM1KCNH2
SCHEMBL13866913 0.90 DPP4 (0.43) DPP4DPP9FAPCHRM1KCNH2
SCHEMBL13866905 0.90 DPP4 (0.44) DPP4DPP9FAPKCNH2
SCHEMBL13866907 0.89 CYP1A2 (0.42) DPP4DPP9FAPCHRM1USP2
SCHEMBL13866910 0.88 DPP4 (0.45) DPP4DPP9FAPCHRM1KCNH2
SCHEMBL13866909 0.87 DPP4 (0.42) DPP4DPP9FAPCHRM1KCNH2
SCHEMBL13866930 0.87 DPP4 (0.47) DPP4DPP9FAPCHRM1KCNH2
SCHEMBL13866891 0.86 DPP4 (0.60) DPP4DPP9FAPCHRM1
Trifluoroacetic Acid SCHEMBL3873847 0.85 DPP4 (0.41) DPP4DPP9FAPCHRM1
Trifluoroacetic Acid SCHEMBL3877491 0.85 DPP4 (0.40) DPP4DPP9FAPKCNH2

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