SCHEMBL933478

SCHEMBL933478

O=C(O)NC1=NCC2COCC[C@]2(c2cccc(NC(=O)c3ccc(Cl)cn3)c2)S1

nearest known ligand 0.47

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.47

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
SCHEMBL932583 0.89 BACE1 (0.44) BACE1
Hydrochloric Acid SCHEMBL932779 0.88 BACE1 (0.54) BACE1
SCHEMBL968552 0.80 BACE1 (0.60) BACE1
SCHEMBL933387 0.80 USP2 (0.34)
SCHEMBL6875971 0.74 BACE1 (0.76) BACE1
Hydrochloric Acid SCHEMBL967541 0.73 BACE1 (0.75) BACE1
Hydrochloric Acid SCHEMBL967542 0.73 BACE1 (0.75) BACE1
SCHEMBL3696178 0.73 BACE1 (0.58) BACE1
SCHEMBL968820 0.71 BACE1 (0.55) BACE1
SCHEMBL2620309 0.71 BACE1 (0.64) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2451793-A1 BACE INHIBITORS Eli Lilly and Company (US) 2012-05-16 EP disclosed
WO-2011005738-A1 BACE INHIBITORS ELI LILLY AND COMPANY (US) 2011-01-13 WO disclosed