SCHEMBL14417837

SCHEMBL14417837

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

nearest known ligand 0.72

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.72
DPP8 Q6V1X1 1/20 0.72
DPP9 Q86TI2 1/20 0.72

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
SCHEMBL14417838 1.00 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL5568475 1.00 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL5568617 1.00 DPP4 (0.72) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL4941191 0.99 DPP4 (0.71) DPP4DPP8DPP9
Fumaric Acid SCHEMBL1073474 0.94 DPP4 (0.65) DPP4DPP8DPP9
Fumaric Acid SCHEMBL1073475 0.94 DPP4 (0.65) DPP4DPP8DPP9
SCHEMBL5569754 0.91 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL5568627 0.91 DPP4 (0.72) DPP4DPP8DPP9
SCHEMBL4942599 0.89 DPP4 (0.66) DPP4DPP8DPP9
SCHEMBL5568604 0.86 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 2 patents. 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 disclosed
US-7268150-B2 2-cyano-4-fluoropyrrolidine derivative or its salt YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 2007-09-11 US disclosed