SCHEMBL30633264

SCHEMBL30633264

CC(C)(C)OC(=O)N1CCN(C(=O)OCC2c3ccccc3-c3ccccc32)C[C@H]1C(=O)NCc1cccs1

nearest known ligand 0.45

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
F12 P00748 16/20 0.45
MAPT P10636 1/20 0.45
ALDH1A1 P00352 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL20168356 1.00 F12 (0.45) F12MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20168358 1.00 F12 (0.45) F12MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL26018072 0.83 F12 (0.51) F12
SCHEMBL652744 0.81 NR1H2 (0.48)
SCHEMBL31740710 0.81 BACE1 (0.45)
SCHEMBL656294 0.81 BACE1 (0.45)
SCHEMBL13837003 0.81 BACE1 (0.45)
SCHEMBL7054647 0.81 BACE1 (0.45)
SCHEMBL21579620 0.81 MAPT (0.47) MAPTALDH1A1HTTSMN1; SMN2
SCHEMBL20166269 0.81 F12 (0.65) 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