SCHEMBL7718016

SCHEMBL7718016

CCc1cccc(-c2ccc3c(c2)C2(CCC3(C)C)N=C(N)N(C)C2=O)c1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.50
CTSD P07339 18/20 0.50

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
SCHEMBL430327 0.86 BACE1 (0.66) BACE1CTSD
SCHEMBL464639 0.86 CTSD (0.51) BACE1CTSD
SCHEMBL429056 0.84 BACE1 (0.67) BACE1CTSD
SCHEMBL12592012 0.81 CTSD (0.78) BACE1CTSD
SCHEMBL430468 0.81 BACE1 (0.69) BACE1CTSD
SCHEMBL12592287 0.81 CTSD (0.78) BACE1CTSD
SCHEMBL7719982 0.78 BACE1 (0.57) BACE1CTSD
SCHEMBL429051 0.78 BACE1 (0.69) BACE1CTSD
SCHEMBL429262 0.77 BACE1 (0.70) BACE1CTSD
SCHEMBL449471 0.77 BACE1 (0.65) BACE1CTSD

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-2011123674-A1 COMPOUNDS FOR TREATING NEURODEGENERATIVE DISEASES ARRAY BIOPHARMA INC. (US) 2011-10-06 WO disclosed