SCHEMBL13205209

SCHEMBL13205209

C[C@@H]1CS[C@H]2C[C@@](N)(c3ccccc3)C(=O)N12

nearest known ligand 0.67

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 15/20 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
SCHEMBL8270985 0.80 DPP4 (1.00) DPP4
SCHEMBL8270980 0.80 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2973273 0.79 DPP4 (1.00) DPP4
SCHEMBL8270981 0.70 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL2984319 0.69 DPP4 (1.00) DPP4
SCHEMBL8271516 0.62 DPP4 (1.00) DPP4
SCHEMBL14497610 0.60 KCNH2 (0.61)
SCHEMBL14497609 0.60 KCNH2 (0.61)
SCHEMBL6561883 0.60 KCNH2 (0.61)
SCHEMBL6560821 0.57 KCNH2 (0.52)

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