SCHEMBL7719733

SCHEMBL7719733

CN1C(=O)C2(CC(C)(C)Cc3ccc(-c4cccc(CC(F)F)c4)cc32)N=C1N

nearest known ligand 0.67

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 0.67
BACE1 P56817 20/20 0.67

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
SCHEMBL7719670 0.88 BACE1 (0.56) CTSDBACE1
SCHEMBL7713911 0.86 CTSD (0.54) CTSDBACE1
SCHEMBL429073 0.83 CTSD (0.75) CTSDBACE1
SCHEMBL430693 0.83 BACE1 (0.72) CTSDBACE1
SCHEMBL431003 0.82 BACE1 (0.78) CTSDBACE1
SCHEMBL427959 0.81 BACE1 (0.71) CTSDBACE1
SCHEMBL429268 0.81 CTSD (0.71) CTSDBACE1
SCHEMBL429178 0.80 BACE1 (1.00) CTSDBACE1
SCHEMBL431005 0.80 BACE1 (1.00) CTSDBACE1
SCHEMBL429190 0.80 BACE1 (1.00) CTSDBACE1

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