SCHEMBL30633232

SCHEMBL30633232

CC(C)(C)C(=O)N1CCC([C@@H](NC2CCCCC2)C(=O)N2CCN(C(=O)Oc3ccccc3Cl)C[C@H]2C(=O)NCc2cccs2)CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F12 P00748 20/20 1.00

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
SCHEMBL21579607 1.00 F12 (1.00) F12
SCHEMBL21579842 0.93 F12 (1.00) F12
SCHEMBL21579843 0.93 F12 (1.00) F12
SCHEMBL21579653 0.92 F12 (1.00) F12
SCHEMBL30633171 0.92 F12 (1.00) F12
SCHEMBL30633195 0.92 F12 (1.00) F12
SCHEMBL21579605 0.92 F12 (1.00) F12
SCHEMBL30633226 0.91 F12 (1.00) F12
SCHEMBL21579628 0.91 F12 (1.00) F12
SCHEMBL21579801 0.89 F12 (1.00) F12

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-3541375-B1 FACTOR XIIA INHIBITORS MERCK SHARP & DOHME LLC (US) 2023-08-23 EP disclosed