SCHEMBL6411044

SCHEMBL6411044

CC#CCn1c(N2CCN(C(=O)O)CC2)nc2cnn(C)c(=O)c21

nearest known ligand 0.49

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
CHRM1 P11229 5/20 0.47
FAP Q12884 3/20 0.39

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
SCHEMBL2952455 0.86 DPP4 (0.43) DPP4CHRM1
SCHEMBL6417266 0.84 DPP4 (0.40) DPP4CHRM1FAP
SCHEMBL2967103 0.84 DPP4 (0.61) DPP4CHRM1FAP
Trifluoroacetic Acid SCHEMBL2957130 0.82 DPP4 (0.55) DPP4CHRM1FAP
SCHEMBL2954861 0.78 DPP4 (0.68) DPP4CHRM1
Trifluoroacetic Acid SCHEMBL2956677 0.77 DPP4 (0.66) DPP4CHRM1
SCHEMBL6383619 0.76 DPP4 (0.47) DPP4CHRM1FAP
SCHEMBL1081480 0.75 DPP4 (0.54) DPP4CHRM1FAP
SCHEMBL2962657 0.74 DPP4 (0.37) DPP4CHRM1FAP
SCHEMBL6386721 0.73 DPP4 (0.47) DPP4CHRM1FAP

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