SCHEMBL1981979

SCHEMBL1981979

CN1C(=O)[C@]2(CC(C)(C)Oc3ccc(-c4cncc(Cl)c4)cc32)N=C1N

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
CTSD P07339 20/20 1.00
BACE1 P56817 20/20 1.00

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
SCHEMBL12592044 0.89 CTSD (0.81) CTSDBACE1
SCHEMBL12592279 0.89 CTSD (0.86) CTSDBACE1
SCHEMBL12593021 0.89 CTSD (1.00) CTSDBACE1
SCHEMBL12592481 0.89 CTSD (0.79) CTSDBACE1
SCHEMBL12592713 0.88 CTSD (1.00) CTSDBACE1
SCHEMBL12592225 0.88 CTSD (1.00) CTSDBACE1
SCHEMBL12593079 0.88 CTSD (0.78) CTSDBACE1
SCHEMBL12592238 0.88 CTSD (0.78) CTSDBACE1
SCHEMBL1981983 0.87 CTSD (0.77) CTSDBACE1
SCHEMBL12592175 0.87 CTSD (0.77) 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-2011072064-A1 S PIRO [CHROMAN - 4, 4 ' - IMIDAZOL] ONES AS BETA - SECRETASE INHIBITORS ARRAY BIOPHARMA INC. (US) 2011-06-16 WO disclosed