SCHEMBL7597019

SCHEMBL7597019

N#CC1C=CCN1C(=O)CNC1(CO)CCCC1

nearest known ligand 0.59

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 20/20 0.59

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
SCHEMBL7191845 1.00 DPP4 (0.59) DPP4
SCHEMBL6593506 0.74 DPP4 (1.00) DPP4
SCHEMBL6704487 0.73 DPP4 (1.00) DPP4
SCHEMBL19416678 0.72 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL29386862 0.72 DPP4 (1.00) DPP4
SCHEMBL2742688 0.72 DPP4 (1.00) DPP4
SCHEMBL14838005 0.72 DPP4 (1.00) DPP4
SCHEMBL299981 0.72 DPP4 (1.00) DPP4
Hydrochloric Acid SCHEMBL5207231 0.72 DPP4 (1.00) DPP4
SCHEMBL5111135 0.68 DPP4 (0.86) DPP4

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
EP-1254113-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2002-11-06 EP disclosed
WO-2001055105-A1 N-SUBSTITUTED 2-CYANOPYROLES AND -PYRROLINES WHICH ARE INHIBITORS OF THE ENZYME DPP-IV NOVO NORDISK A/S (DK) 2001-08-02 WO disclosed