SCHEMBL5206664

SCHEMBL5206664

N#C[C@@H]1C[C@H](F)CN1C(=O)CC1CCCC[C@@H]1N

nearest known ligand 0.58

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.58
FAP Q12884 3/20 0.46
DPP8 Q6V1X1 3/20 0.46
DPP9 Q86TI2 3/20 0.46
CYP3A4 P08684 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
Hydrochloric Acid SCHEMBL5208091 0.99 DPP4 (0.57) DPP4FAPDPP8DPP9CYP3A4
SCHEMBL3828184 0.76 DPP4 (0.62) DPP4FAPDPP8DPP9CYP3A4
SCHEMBL13070364 0.76 DPP4 (0.62) DPP4FAPDPP8DPP9CYP3A4
SCHEMBL1493788 0.74 DPP4 (0.64) DPP4FAPDPP8DPP9
Hydrochloric Acid SCHEMBL5201620 0.74 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL8267018 0.74 DPP4 (1.00) DPP4DPP8DPP9
Hydrochloric Acid SCHEMBL5201624 0.74 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
Hydrochloric Acid SCHEMBL5201615 0.74 DPP4 (0.51) DPP4FAPDPP8DPP9DPP7
SCHEMBL23360603 0.73 DPP4 (0.62) DPP4FAPDPP8DPP9
SCHEMBL3403519 0.73 DPP4 (0.62) DPP4FAPDPP8DPP9

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-1746086-A1 Cyanopyrrolidine derivatives TAISHO PHARMACEUTICAL CO., LTD (JP) 2007-01-24 EP disclosed