SCHEMBL18567787

SCHEMBL18567787

CC1(C)C(=N)N[C@](C)(c2sc(-c3ccc4nncn4c3)cc2Cl)C[S+]1[O-]

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.51

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
SCHEMBL13466514 0.81 BACE1 (0.65) BACE1
SCHEMBL18567381 0.76 BACE1 (0.41) BACE1
SCHEMBL18567792 0.76 BACE1 (0.51) BACE1
SCHEMBL18567732 0.75 BACE1 (0.45) BACE1
SCHEMBL18567273 0.73 BACE1 (0.46) BACE1
SCHEMBL18567394 0.72 BACE1 (0.46) BACE1
SCHEMBL18567390 0.71 BACE1 (0.49) BACE1
SCHEMBL18567822 0.70 BACE1 (0.51) BACE1
SCHEMBL20119095 0.63 BACE1 (0.49) BACE1
SCHEMBL20119140 0.61 BACE1 (0.51) BACE1

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-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 EP disclosed