SCHEMBL6449836

SCHEMBL6449836

NC(CCc1ccccc1F)C(=O)N1CCc2ccccc2C1COc1cccc(F)c1

nearest known ligand 0.47

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.47
TP53 P04637 2/20 0.44
RXFP1 Q9HBX9 1/20 0.44
GRIN2C Q14957 1/20 0.44
LMNA P02545 1/20 0.43

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
SCHEMBL6444432 0.81 DPP4 (0.46)
SCHEMBL5662424 0.74 GHSR (0.51) GRIN2C
SCHEMBL6444422 0.70 SCN8A (0.38) TP53
SCHEMBL4664775 0.68 DPP4 (0.45)
SCHEMBL4664760 0.66 DPP4 (0.51)
SCHEMBL6449835 0.66 DPP4 (0.50)
SCHEMBL6444430 0.66 DPP4 (0.67)
SCHEMBL26065132 0.65 GRIN2C (0.64) GRIN2C
SCHEMBL23436233 0.65 CHRM3 (0.70)
SCHEMBL23436348 0.65 CHRM3 (0.70)

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
EP-1604662-A1 1-[(3R)-Amino-4-(2-fluoro-phenyl)-butyl]-pyrrolidine-(2R)-carboxylic acid benzyl amine derivatives and related compounds as dipeptidyl peptidase IV (DPP-IV) inhibitors for the treatment of type 2 diabetes mellitus Santhera Pharmaceuticals (Deutschland) Aktiengesellschaft (DE) 2005-12-14 EP disclosed