SCHEMBL24115271

SCHEMBL24115271

CN[C@@H](CC(CN)C(C)=O)C(C)=O

nearest known ligand 0.35

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 3/20 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
SCHEMBL13035654 0.84
SCHEMBL8288935 0.84
SCHEMBL9388763 0.74
SCHEMBL27352372 0.73 SLC1A3 (0.48)
SCHEMBL12214818 0.73 ALDH1A1 (0.50) KISS1R
SCHEMBL10036220 0.73 ALDH1A1 (0.50) KISS1R
SCHEMBL23839888 0.73 KISS1R (0.35) KISS1R
SCHEMBL15080400 0.73 KISS1R (0.48) KISS1R
SCHEMBL13238863 0.73 ALDH1A1 (0.50) KISS1R
SCHEMBL24154557 0.71

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
EP-3925667-A1 SELECTIVE TMPRSS2 INHIBITORS AND MEDICAL USE THEREOF Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2021-12-22 EP disclosed