SCHEMBL2859617

SCHEMBL2859617

O=C([C@@H]1C[C@H](N2CCN(c3nccn3-c3ccncc3)CC2)CN1)N1CCSC1

nearest known ligand 0.87

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.87

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
SCHEMBL6678573 0.93 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2711748 0.92 DPP4 (0.98) DPP4
SCHEMBL2855960 0.91 DPP4 (0.87) DPP4
Hydrochloric Acid SCHEMBL2849749 0.88 DPP4 (0.79) DPP4
Hydrochloric Acid SCHEMBL2709662 0.87 DPP4 (0.98) DPP4
SCHEMBL2856907 0.86 DPP4 (0.75) DPP4
SCHEMBL2855435 0.86 DPP4 (0.81) DPP4
SCHEMBL2854014 0.78 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2858674 0.78 DPP4 (0.76) DPP4
SCHEMBL2854204 0.78 DPP4 (0.74) 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