SCHEMBL6276892

SCHEMBL6276892

N[C@@H](CC(=O)NC1(C(=O)NCc2ccc(F)cc2)CCCCC1)Cc1ccccc1F

nearest known ligand 0.53

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 17/20 0.53
DPP8 Q6V1X1 5/20 0.53
DPP9 Q86TI2 5/20 0.53
DPP7 Q9UHL4 5/20 0.53
SMN1; SMN2 Q16637 1/20 0.45
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44

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
SCHEMBL6242852 0.85 DPP4 (0.58) DPP4DPP8DPP9DPP7
SCHEMBL8290827 0.83 DPP4 (0.59) DPP4DPP8DPP9DPP7
SCHEMBL8289870 0.83 DPP4 (0.55) DPP4DPP8DPP9DPP7SMN1; SMN2
SCHEMBL4074503 0.80 ALDH1A1 (0.47) SMN1; SMN2ALDH1A1LMNA
SCHEMBL8291508 0.79 DPP4 (0.60) DPP4DPP8DPP9DPP7
SCHEMBL27689603 0.73 CA1 (0.49) DPP4DPP8DPP9DPP7SMN1; SMN2
SCHEMBL8278054 0.73 CA1 (0.49) DPP4DPP8DPP9DPP7SMN1; SMN2
SCHEMBL4456920 0.72 P2RX7 (0.41) ALDH1A1LMNA
SCHEMBL8291572 0.72 DPP4 (0.54) DPP4DPP8DPP9DPP7
SCHEMBL8290585 0.71 DPP4 (0.55) DPP4DPP8DPP9DPP7

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
WO-2005040095-A1 INHIBITORS OF DIPEPTIDYL PEPTIDASE IV ASTRAZENECA AB (SE) 2005-05-06 WO disclosed