SCHEMBL21704528

SCHEMBL21704528

CCN1C[C@@H](N)CC[C@H]1CO

nearest known ligand 0.36

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.36

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
SCHEMBL23865737 1.00 GAA (0.36) GAA
SCHEMBL24792241 1.00 GAA (0.36) GAA
SCHEMBL18976596 1.00 GAA (0.36) GAA
SCHEMBL23865666 1.00 GAA (0.36) GAA
SCHEMBL18976253 0.83
SCHEMBL7303785 0.82 GAA (0.37) GAA
SCHEMBL7301100 0.82 GAA (0.37) GAA
SCHEMBL7302558 0.82 GAA (0.37) GAA
SCHEMBL7307249 0.82 GAA (0.37) GAA
SCHEMBL12513136 0.82 GAA (0.37) GAA

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-2020033488-A1 SUBSTITUTED BENZIMIDAZOLES AS PAD4 INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2020-02-13 WO disclosed