SCHEMBL16622012

SCHEMBL16622012

CC1=NC2(N=C1N)c1cc(Br)ccc1CCC21CC1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 18/20 1.00
APP P05067 17/20 0.78

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
SCHEMBL9948350 0.88 BACE1 (1.00) BACE1APP
SCHEMBL16622015 0.87 BACE1 (1.00) BACE1APP
SCHEMBL16622031 0.87 BACE1 (1.00) BACE1APP
SCHEMBL9948126 0.84 BACE1 (0.81) BACE1APP
SCHEMBL9948258 0.83 BACE1 (1.00) BACE1APP
SCHEMBL9948129 0.82 BACE1 (1.00) BACE1APP
SCHEMBL18562885 0.82 BACE1 (0.93) BACE1APP
SCHEMBL9948043 0.80 BACE1 (1.00) BACE1APP
SCHEMBL9948267 0.79 APP (1.00) BACE1APP
SCHEMBL10250330 0.79 APP (1.00) BACE1APP

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
US-9000184-B2 Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2015-04-07 US disclosed
US-9000184-B2 Cyclohexane-1,2′-naphthalene-1′,2″-imidazol compounds and their use as BACE inhibitors ASTRAZENECA AB (SE) 2015-04-07 US disclosed