SCHEMBL7419137

SCHEMBL7419137

N#CC1C=CCN1C(=O)C(N)Cc1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 14/20 0.60
DPP8 Q6V1X1 11/20 0.60
DPP9 Q86TI2 11/20 0.60
DPP7 Q9UHL4 11/20 0.60
FAP Q12884 9/20 0.58
HDAC8 Q9BY41 2/20 0.48
TACR1 P25103 1/20 0.47

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
SCHEMBL7185307 1.00 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL7191378 1.00 DPP4 (0.60) DPP4DPP8DPP9DPP7FAP
SCHEMBL7182285 0.88 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL7182281 0.88 DPP4 (0.61) DPP4DPP8DPP9DPP7FAP
SCHEMBL7177515 0.86 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL7177518 0.86 DPP4 (0.63) DPP4DPP8DPP9DPP7FAP
SCHEMBL6171475 0.85 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL6171477 0.85 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL7177541 0.83 DPP4 (0.44) DPP4DPP8DPP9DPP7FAP
SCHEMBL7177557 0.83 DPP4 (0.59) DPP4DPP8DPP9DPP7FAP

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