SCHEMBL5568579

SCHEMBL5568579

CC1(NCC(=O)N2C[C@@H](F)C[C@H]2C#N)CCN(S(C)(=O)=O)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 1.00
DPP8 Q6V1X1 1/20 1.00
DPP9 Q86TI2 1/20 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
SCHEMBL14417836 1.00 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL14417833 1.00 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL14417835 1.00 DPP4 (1.00) DPP4DPP8DPP9
SCHEMBL4760211 1.00 DPP4 (1.00) DPP4DPP8DPP9
Fumaric Acid SCHEMBL31734402 0.94 DPP4 (0.89) DPP4DPP8DPP9
SCHEMBL14431451 0.89 DPP4 (0.80) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5214850 0.88 DPP4 (0.78) DPP4DPP8DPP9
SCHEMBL14417780 0.85 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL5568620 0.85 DPP4 (0.74) DPP4DPP8DPP9
SCHEMBL5568604 0.85 DPP4 (0.74) DPP4DPP8DPP9

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-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US claimed