SCHEMBL23161335

SCHEMBL23161335

C=C(CC)C(=O)N1N=CCC1c1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
▸ RIPK1 Q13546 17/20 0.59
▸ ALDH1A1 P00352 3/20 0.52
▸ GAA P10253 1/20 0.52

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
SCHEMBL23161075 0.85 RIPK1 (0.57) RIPK1ALDH1A1
SCHEMBL23170688 0.84 RIPK1 (0.51) RIPK1ALDH1A1GAA
SCHEMBL19505913 0.82 RIPK1 (0.61) RIPK1ALDH1A1GAA
SCHEMBL24351038 0.78 RIPK1 (0.70) RIPK1
SCHEMBL9370156 0.78 RIPK1 (0.70) RIPK1
SCHEMBL9370866 0.78 RIPK1 (0.62) RIPK1ALDH1A1GAA
SCHEMBL23161321 0.78 RIPK1 (0.62) RIPK1ALDH1A1
SCHEMBL23170336 0.77 RIPK1 (0.59) RIPK1ALDH1A1GAA
SCHEMBL27276665 0.76 RIPK1 (0.71) RIPK1
SCHEMBL22037891 0.76 RIPK1 (0.59) RIPK1ALDH1A1

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
WO-2021062199-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-04-01 — — WO disclosed
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