SCHEMBL6186831

SCHEMBL6186831

COc1ccc(C2N[C@H](C(=O)N3CCC[C@H]3C#N)CS2)c(OC)c1OC

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.49
PREP P48147 2/20 0.45
FAP Q12884 2/20 0.45
DPP8 Q6V1X1 2/20 0.45
DPP9 Q86TI2 2/20 0.45
DPP7 Q9UHL4 2/20 0.45

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
Hydrochloric Acid SCHEMBL6334743 0.99 DPP4 (0.48) DPP4PREPFAPDPP8DPP9
SCHEMBL6184591 0.86 DPP4 (0.52) DPP4PREPFAPDPP8DPP9
SCHEMBL6204209 0.86 DPP4 (0.56) DPP4PREPFAPDPP8DPP9
SCHEMBL6184154 0.86 DPP4 (0.56) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6184102 0.86 DPP4 (0.52) DPP4PREPFAPDPP8DPP9
SCHEMBL6186082 0.85 DPP4 (0.52) DPP4DPP8
Hydrochloric Acid SCHEMBL6336913 0.85 DPP4 (0.52) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6333910 0.85 DPP4 (0.55) DPP4PREPFAPDPP8DPP9
Hydrochloric Acid SCHEMBL6333147 0.85 DPP4 (0.55) DPP4PREPFAPDPP8DPP9
SCHEMBL6184517 0.85 DPP4 (0.51) 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-1535906-A1 NITROGEN-CONTAINING COMPOUNDS ONO PHARMACEUTICAL CO., LTD. (JP) 2005-06-01 EP disclosed