SCHEMBL20179493

SCHEMBL20179493

O=C(CNCc1cccs1)[C@@H]1CN(C(=O)Oc2ccccc2Cl)CCN1

nearest known ligand 0.48

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
F12 P00748 20/20 0.48

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
SCHEMBL20179461 0.89 F12 (0.47) F12
SCHEMBL26016585 0.87 F12 (0.56) F12
Hydrochloric Acid SCHEMBL30633210 0.86 F12 (0.55) F12
SCHEMBL20179458 0.77 F12 (0.43) F12
SCHEMBL21579599 0.73 F12 (0.43) F12
SCHEMBL20166269 0.71 F12 (0.65) F12
SCHEMBL20179644 0.67 F12 (0.61) F12
SCHEMBL21579620 0.67 MAPT (0.47)
SCHEMBL30633255 0.67 POLB (0.52)
Hydrochloric Acid SCHEMBL21571269 0.67 MAPT (0.46)

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