SCHEMBL2861946

SCHEMBL2861946

O=C([C@@H]1C[C@H](N2CCN(c3nc4ccc(Cl)cc4o3)CC2)CN1)N1CCSC1

nearest known ligand 0.78

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.78

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
SCHEMBL2855882 0.93 DPP4 (0.78) DPP4
SCHEMBL2855926 0.88 DPP4 (0.88) DPP4
SCHEMBL2859005 0.88 DPP4 (0.75) DPP4
Hydrochloric Acid SCHEMBL2709307 0.87 DPP4 (0.98) DPP4
SCHEMBL3842215 0.84 DPP4 (0.79) DPP4
SCHEMBL2852076 0.83 DPP4 (0.75) DPP4
Hydrochloric Acid SCHEMBL2708605 0.82 DPP4 (0.98) DPP4
Hydrochloric Acid SCHEMBL2710321 0.81 DPP4 (0.77) DPP4
Bromide SCHEMBL2712041 0.81 DPP4 (0.98) DPP4
Hydrochloric Acid SCHEMBL2709146 0.80 DPP4 (0.75) 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
US-7790725-B2 Thiazolidine derivatives and medicinal use thereof MITSUBISHI TANABE PHARMA CORPORATION (JP) 2010-09-07 US disclosed