SCHEMBL6804873

SCHEMBL6804873

CC#CCn1c(N2CCCC(OC(N)=O)C2)nc2nc(Cl)n(CCc3ccccc3)c(=O)c21

nearest known ligand 0.49

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
CHRM1 P11229 4/20 0.49

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
SCHEMBL2960523 0.85 DPP4 (0.53) DPP4CHRM1
SCHEMBL6409678 0.84 DPP4 (0.52) DPP4
SCHEMBL13200656 0.82 DPP4 (0.61) DPP4CHRM1
SCHEMBL2956245 0.79 DPP4 (0.45) DPP4CHRM1
SCHEMBL13200685 0.79 DPP4 (0.60) DPP4CHRM1
Hydrochloric Acid SCHEMBL2960901 0.78 DPP4 (0.59) DPP4CHRM1
SCHEMBL6411099 0.78 DPP4 (0.52) DPP4CHRM1
SCHEMBL13200677 0.77 DPP4 (0.60) DPP4CHRM1
Hydrochloric Acid SCHEMBL2958396 0.76 DPP4 (0.59) DPP4CHRM1
SCHEMBL3974698 0.74 DPP4 (0.62) DPP4CHRM1

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-20040116328-A1 Condensed imidazole derivatives EISAI CO., LTD. (JP) 2004-06-17 US disclosed