SCHEMBL570867

SCHEMBL570867

Fc1ncccc1-c1ccc2c(c1)[C@@]1(N=Cc3ccncc31)c1cc(Cl)nc(F)c1O2

nearest known ligand 0.51

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.51

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
SCHEMBL570770 1.00 BACE1 (0.51) BACE1
SCHEMBL570684 1.00 BACE1 (0.51) BACE1
SCHEMBL571288 0.86 BACE1 (0.58) BACE1
SCHEMBL10285133 0.83 BACE1 (0.56) BACE1
SCHEMBL10285424 0.83 BACE1 (0.56) BACE1
SCHEMBL10285408 0.83 BACE1 (0.56) BACE1
SCHEMBL570834 0.82 BACE1 (0.33) BACE1
Trifluoroacetic Acid SCHEMBL15063401 0.78 BACE1 (0.52) BACE1
Trifluoroacetic Acid SCHEMBL15063433 0.78 BACE1 (0.52) BACE1
Trifluoroacetic Acid SCHEMBL15063452 0.78 BACE1 (0.52) 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-2601197-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE Amgen Inc. (US) 2013-06-12 EP disclosed
WO-2012019056-A1 AMINO-ISO-INDOLE, AMINO-AZA-ISO-INDOLE, AMINO-DIHYDROISOQUINOLINE AND AMINO-BENZOXAZINE COMPOUNDS AS BETA-SECRETASE MODULATORS AND METHODS OF USE AMGEN INC. (US) 2012-02-09 WO disclosed