Sugi Predict

Sugi Predict / Compounds / SCHEMBL8540930

SCHEMBL8540930

SCHEMBL8540930

C[C@@H]1CCN(C(=O)C(C)(C)C)[C@@H](C#N)C1

nearest known ligand 0.41

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ DPP4 P27487 19/20 0.41
▸ DPP8 Q6V1X1 3/20 0.41
▸ DPP9 Q86TI2 3/20 0.41
▸ RIPK1 Q13546 1/20 0.39

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
SCHEMBL8540934 1.00 DPP4 (0.41) DPP4DPP8DPP9RIPK1
SCHEMBL8300456 0.81 DPP4 (0.41) DPP4DPP8DPP9
SCHEMBL8300453 0.81 DPP4 (0.41) DPP4DPP8DPP9
SCHEMBL18701586 0.78 RIPK1 (0.44) DPP4RIPK1
SCHEMBL14899497 0.74 DPP7 (0.53) DPP4DPP8DPP9
SCHEMBL9258699 0.73 RIPK1 (0.44) RIPK1
SCHEMBL9258703 0.73 RIPK1 (0.44) RIPK1
SCHEMBL8544519 0.72 RIPK1 (0.40) DPP4RIPK1
SCHEMBL8544522 0.72 RIPK1 (0.40) DPP4RIPK1
SCHEMBL18701935 0.72 RIPK1 (0.40) DPP4RIPK1

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0565396-B1 1-[2-(arylsulfonylamino)-1-oxoethyl]piperidine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1998-01-07 — — EP disclosed
US-5453430-A Anticoagulants SYNTHELABO (FR) 1995-09-26 — — US disclosed
EP-0565396-A1 1-(2-arylsulfonylamino)-1-oxoethyl)-piperidine derivatives, their preparation and use in therapy SYNTHELABO (FR) 1993-10-13 — — EP disclosed