SCHEMBL11512461

SCHEMBL11512461

C#CC(CCCN)NC(=O)CN

nearest known ligand 0.37

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ CTSC P53634 2/20 0.37
▸ CPB2 Q96IY4 1/20 0.32
▸ GSR P00390 1/20 0.31
▸ DPP4 P27487 1/20 0.30
▸ DPP8 Q6V1X1 1/20 0.30
▸ DPP9 Q86TI2 1/20 0.30
▸ DPP7 Q9UHL4 1/20 0.30
▸ SLC15A2 Q16348 1/20 0.30
▸ ITGB3 P05106 2/20 0.30
▸ ITGA2B P08514 2/20 0.30
▸ FOLH1 Q04609 1/20 0.30

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
SCHEMBL11511932 0.86 CYP2C9 (0.36) CPB2DPP4DPP8DPP9DPP7
SCHEMBL11512134 0.81 SIRT6 (0.38) CPB2GSRDPP4DPP8DPP9
SCHEMBL11511390 0.79 ITGB3 (0.33) CTSCITGB3ITGA2B
SCHEMBL11509902 0.79 DPP4 (0.32) CPB2DPP4DPP8DPP9DPP7
SCHEMBL5155641 0.78 GSR (0.38) CTSCCPB2GSRDPP8DPP9
SCHEMBL5494838 0.78 GSR (0.38) CTSCCPB2GSRDPP8DPP9
SCHEMBL11511521 0.77 DPP8 (0.41) GSRDPP4DPP8DPP9DPP7
Bromide SCHEMBL11510961 0.76 DPP8 (0.40) GSRDPP4DPP8DPP9DPP7
SCHEMBL6782883 0.76 ITGB3 (0.48) CTSCITGB3ITGA2B
SCHEMBL11509486 0.70 CPB2 (0.44) CPB2GSRDPP8DPP9DPP7

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
US-4139563-A ENZYME INHIBITORS, ANTIFERTILITY AGENTS, IMMUNOSUPPRESSIVES, ANTITUMOR AGENTS MERRELL TORAUDE ET COMPAGNIE (FR) 1979-02-13 — — US disclosed
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