SCHEMBL6184517

SCHEMBL6184517

COc1cc(C2N[C@H](C(=O)N3CCC[C@H]3C#N)CS2)cc(OC)c1OC

nearest known ligand 0.51

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.51
OPRM1 P35372 1/20 0.43
OPRD1 P41143 1/20 0.43

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 SCHEMBL6343200 0.99 DPP4 (0.50) DPP4OPRM1OPRD1
SCHEMBL6185961 0.89 DPP4 (0.56) DPP4
Hydrochloric Acid SCHEMBL6343169 0.89 DPP4 (0.55) DPP4
SCHEMBL6186082 0.85 DPP4 (0.52) DPP4OPRM1OPRD1
SCHEMBL6186831 0.85 DPP4 (0.49) DPP4
Hydrochloric Acid SCHEMBL6337273 0.84 DPP4 (0.51) DPP4OPRM1OPRD1
SCHEMBL6184591 0.84 DPP4 (0.52) DPP4
Hydrochloric Acid SCHEMBL6334743 0.84 DPP4 (0.48) DPP4
Hydrochloric Acid SCHEMBL6336913 0.83 DPP4 (0.52) DPP4
Hydrochloric Acid SCHEMBL6182726 0.83 DPP4 (0.60) 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