SCHEMBL30633191

SCHEMBL30633191

NCCCC[C@@H](NC1CCC2(CC1)CCN(Cc1ccccc1)C2)C(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1

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
SCHEMBL21571301 1.00 F12 (1.00) F12
SCHEMBL26021923 0.93 F12 (1.00) F12
SCHEMBL21571341 0.93 F12 (1.00) F12
SCHEMBL26027639 0.93 F12 (0.87) F12
SCHEMBL30633186 0.93 F12 (1.00) F12
SCHEMBL26024847 0.93 F12 (1.00) F12
SCHEMBL21579629 0.93 F12 (1.00) F12
SCHEMBL21579617 0.93 F12 (1.00) F12
SCHEMBL21579721 0.92 F12 (1.00) F12
SCHEMBL30633233 0.92 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