SCHEMBL6409929

SCHEMBL6409929

CC#CCn1c(N2CCN(C(=O)O)CC2)nc2nc(Cl)nc(Cl)c21

nearest known ligand 0.38

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.38
CHRM1 P11229 4/20 0.32
FAP Q12884 1/20 0.31

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
SCHEMBL2959511 0.86 KCNH2 (0.40) DPP4
SCHEMBL6383619 0.82 DPP4 (0.47) DPP4CHRM1FAP
SCHEMBL6411251 0.79 DPP4 (0.39) DPP4CHRM1FAP
SCHEMBL2966177 0.77 DPP4 (0.47) DPP4CHRM1
SCHEMBL5274905 0.74 DPP4 (0.42) DPP4CHRM1
SCHEMBL6386721 0.72 DPP4 (0.47) DPP4CHRM1FAP
SCHEMBL2962798 0.72
SCHEMBL3883157 0.72 DPP4 (0.43) DPP4CHRM1
SCHEMBL6411044 0.72 DPP4 (0.49) DPP4CHRM1FAP
SCHEMBL13200635 0.71 DPP4 (0.55) DPP4

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
EP-1514552-A1 NOVEL FUSED IMIDAZOLE DERIVATIVE Eisai Co., Ltd. (JP) 2005-03-16 EP disclosed