SCHEMBL13205203

SCHEMBL13205203

N#C[C@@H]1CS[C@H]2C[C@@](N)(C3CCCC3)C(=O)N12

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00

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
SCHEMBL8271515 1.00 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2983466 0.99 DPP4 (1.00) DPP4
SCHEMBL13205193 0.99 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2973270 0.97 DPP4 (1.00) DPP4
SCHEMBL8295868 0.88 DPP4 (0.79) DPP4
Trifluoroacetic Acid SCHEMBL1728391 0.80 DPP4 (0.65) DPP4
SCHEMBL13205199 0.78 DPP4 (1.00) DPP4
SCHEMBL8269479 0.77 DPP4 (0.70) DPP4
SCHEMBL2985651 0.77 DPP4 (0.70) DPP4
Hydrochloric Acid SCHEMBL2974629 0.77 DPP4 (1.00) 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-7786163-B2 Constrained cyano compounds Forest Laboratories Holdings Limited (BM) 2010-08-31 US disclosed