SCHEMBL2710262

SCHEMBL2710262

O=C([C@@H]1C[C@H](N2CCN(c3cc(Cl)cc(Cl)c3)CC2)CN1)N1CCSC1

nearest known ligand 0.82

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.82
DPP8 Q6V1X1 1/20 0.67
DPP9 Q86TI2 1/20 0.67

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 SCHEMBL5960967 0.99 DPP4 (0.81) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708926 0.89 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710323 0.89 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2712069 0.87 DPP4 (0.98) DPP4DPP8DPP9
SCHEMBL2709857 0.85 DPP4 (0.82) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2708846 0.85 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5961016 0.84 DPP4 (0.81) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2710882 0.83 DPP4 (0.71) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2709662 0.83 DPP4 (0.98) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL2711305 0.83 DPP4 (0.98) 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