SCHEMBL6409678

SCHEMBL6409678

CC#CCn1c(N2CCCC(OC(N)=O)C2)nc2nc(Cl)n(Cc3ccccc3C#N)c(=O)c21

nearest known ligand 0.52

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.52
FAP Q12884 1/20 0.52
CYP3A4 P08684 3/20 0.47

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
SCHEMBL6411099 0.92 DPP4 (0.52) DPP4FAPCYP3A4
SCHEMBL2954164 0.86 DPP4 (0.52) DPP4FAPCYP3A4
SCHEMBL5273381 0.84 DPP4 (0.48) DPP4FAPCYP3A4
SCHEMBL6804873 0.84 DPP4 (0.49) DPP4
SCHEMBL13200639 0.83 DPP4 (0.62) DPP4FAP
SCHEMBL2956661 0.80 DPP4 (0.42) DPP4FAP
SCHEMBL13200660 0.80 DPP4 (0.64) DPP4FAPCYP3A4
Hydrochloric Acid SCHEMBL2962230 0.80 DPP4 (0.65) DPP4FAPCYP3A4
Hydrochloric Acid SCHEMBL2959130 0.79 DPP4 (0.63) DPP4FAPCYP3A4
SCHEMBL13200665 0.78 DPP4 (0.64) DPP4FAPCYP3A4

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