SCHEMBL7564121

SCHEMBL7564121

CC(C)OCCCNCC(=O)N1CC=CC1C#N

nearest known ligand 0.59

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 13/20 0.59
ALDH1A1 P00352 2/20 0.33
TSHR P16473 1/20 0.33
HSD17B10 Q99714 1/20 0.33
DPP8 Q6V1X1 1/20 0.33
DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL6489742 1.00 DPP4 (0.59) DPP4ALDH1A1TSHRHSD17B10DPP8
SCHEMBL8074088 0.75 DPP4 (0.65) DPP4
Hydrochloric Acid SCHEMBL6594509 0.75 DPP4 (0.69) DPP4DPP8
SCHEMBL6174984 0.75 DPP4 (0.49) DPP4ALDH1A1TSHRHSD17B10
Hydrochloric Acid SCHEMBL6596405 0.74 DPP4 (0.64) DPP4
Hydrochloric Acid SCHEMBL5206594 0.73 DPP4 (0.98) DPP4
SCHEMBL647727 0.70 DPP4 (0.59) DPP4DPP8
SCHEMBL6167904 0.67 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL6488124 0.67 DPP4 (0.66) DPP4DPP8DPP7
SCHEMBL8072101 0.65 ALDH1A1 (0.50) DPP4ALDH1A1TSHR

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