SCHEMBL20179644

SCHEMBL20179644

NCCCCCC(=O)N1CCN(C(=O)Oc2ccccc2Cl)C[C@H]1C(=O)NCc1cccs1

nearest known ligand 0.61

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F12 P00748 20/20 0.61

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
SCHEMBL21579806 0.88 F12 (0.73) F12
SCHEMBL20166269 0.82 F12 (0.65) F12
SCHEMBL21579822 0.78 F12 (0.79) F12
SCHEMBL26021631 0.78 F12 (0.79) F12
SCHEMBL21579633 0.77 F12 (0.65) F12
SCHEMBL21571301 0.77 F12 (1.00) F12
SCHEMBL30633191 0.77 F12 (1.00) F12
SCHEMBL30633203 0.76 F12 (1.00) F12
SCHEMBL21579579 0.76 F12 (1.00) F12
SCHEMBL26016585 0.75 F12 (0.56) 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
WO-2018093695-A1 FACTOR XIIa INHIBITORS MERCK SHARP & DOHME CORP. (US) 2018-05-24 WO disclosed