SCHEMBL2710567

SCHEMBL2710567

Cn1c(N2CCN([C@@H]3CN[C@H](C(=O)N4CCSC4)C3)CC2)nc2ccccc21

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.72
DPP8 Q6V1X1 1/20 0.63
DPP9 Q86TI2 1/20 0.63

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 SCHEMBL5960982 0.99 DPP4 (0.71) DPP4DPP8DPP9
SCHEMBL2851946 0.90 DPP4 (0.74) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708885 0.87 DPP4 (0.67) DPP4DPP8DPP9
SCHEMBL2852755 0.86 DPP4 (0.76) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708597 0.84 DPP4 (0.69) DPP4DPP8DPP9
SCHEMBL2873218 0.84 DPP4 (0.75) DPP4DPP8DPP9
SCHEMBL2854204 0.84 DPP4 (0.74) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709735 0.83 DPP4 (0.98) DPP4DPP8DPP9
SCHEMBL2854683 0.82 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL2875271 0.82 DPP4 (0.70) DPP4DPP8DPP9

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1930319-B1 Proline derivatives and use thereof as drugs MITSUBISHI TANABE PHARMA CORP (JP) 2012-05-02 EP disclosed
EP-1308439-B1 PROLINE DERIVATIVES AND USE THEREOF AS DRUGS MITSUBISHI TANABE PHARMA CORP (JP) 2008-10-15 EP disclosed
EP-1950199-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-07-30 EP disclosed
EP-1930319-A1 Proline derivatives and use thereof as drugs Mitsubishi Tanabe Pharma Corporation (JP) 2008-06-11 EP disclosed