SCHEMBL11511521

SCHEMBL11511521

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

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ DPP8 Q6V1X1 7/20 0.41
▸ DPP7 Q9UHL4 6/20 0.41
▸ DPP4 P27487 4/20 0.38
▸ DPP9 Q86TI2 6/20 0.37
▸ SLC15A1 P46059 1/20 0.37
▸ PAX8 Q06710 1/20 0.33
▸ NOD1 Q9Y239 1/20 0.33
▸ GNAI3 P08754 1/20 0.33
▸ GNAO1 P09471 1/20 0.33
▸ GNAI1 P63096 1/20 0.33
▸ GSR P00390 1/20 0.32
▸ CTRB1 P17538 1/20 0.31
▸ RRM1 P23921 1/20 0.31
▸ CYP2D6 P10635 1/20 0.31
▸ NFKB1 P19838 1/20 0.31

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
Bromide SCHEMBL11510961 0.98 DPP8 (0.40) DPP8DPP7DPP4DPP9SLC15A1
SCHEMBL11511656 0.84 DPP7 (0.39) DPP8DPP7DPP4SLC15A1PAX8
Bromide SCHEMBL11512431 0.83 DPP7 (0.38) DPP8DPP7DPP4SLC15A1PAX8
SCHEMBL11512134 0.81 SIRT6 (0.38) DPP8DPP7DPP4DPP9GSR
SCHEMBL9115877 0.80 DPP7 (0.41) DPP8DPP7DPP4DPP9SLC15A1
SCHEMBL9115885 0.80 DPP7 (0.41) DPP8DPP7DPP4DPP9SLC15A1
SCHEMBL11509902 0.78 DPP4 (0.32) DPP8DPP7DPP4DPP9
SCHEMBL11511932 0.78 CYP2C9 (0.36) DPP8DPP7DPP4DPP9GNAI3
SCHEMBL11512461 0.77 CTSC (0.37) DPP8DPP7DPP4DPP9GSR
SCHEMBL18132889 0.74 DPP7 (0.44) DPP8DPP7DPP4DPP9SLC15A1

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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