SCHEMBL23447189

SCHEMBL23447189

CC(C)C1CCc2ccccc2-n2ccnc21

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 11/20 0.46
OPRM1 P35372 2/20 0.38
OPRK1 P41145 2/20 0.38
OPRL1 P41146 2/20 0.38
OPRD1 P41143 1/20 0.38
ROCK1 Q13464 2/20 0.36
TSHR P16473 1/20 0.35
XIAP P98170 1/20 0.35

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
SCHEMBL24193618 0.81 RIPK1 (0.48) RIPK1
SCHEMBL1976309 0.78 RIPK1 (0.48) RIPK1ROCK1
SCHEMBL1977305 0.78 RIPK1 (0.48) RIPK1ROCK1
SCHEMBL1977997 0.78 RIPK1 (0.48) RIPK1ROCK1
SCHEMBL23408379 0.78 RIPK1 (0.46) RIPK1
Iodide SCHEMBL1975859 0.77 RIPK1 (0.47) RIPK1ROCK1
Hydrochloric Acid SCHEMBL1977306 0.77 RIPK1 (0.47) RIPK1
SCHEMBL26167133 0.75 RIPK1 (0.62) RIPK1
SCHEMBL19207819 0.73 RIPK1 (0.66) RIPK1
SCHEMBL26240321 0.73 RIPK1 (0.54) RIPK1XIAP

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-2021108198-A1 INHIBITORS OF RECEPTOR INTERACTING PROTEIN KINASE I FOR THE TREATMENT OF DISEASE BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2021-06-03 WO disclosed