Sugi Predict

Sugi Predict / Compounds / SCHEMBL2371042

SCHEMBL2371042

SCHEMBL2371042

N[C@@H]1CNCC2(O1)c1cc(-c3cncc(F)c3)ccc1Oc1cnc(-c3ccc(F)c(F)c3)cc12

nearest known ligand 0.45

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ BACE1 P56817 19/20 0.45
▸ CTSD P07339 8/20 0.39
▸ KCNH2 Q12809 1/20 0.37
▸ DYRK1A Q13627 1/20 0.32

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
SCHEMBL2370438 0.89 BACE1 (0.44) BACE1CTSDKCNH2
SCHEMBL2371335 0.81 BACE1 (0.34) BACE1CTSDKCNH2
SCHEMBL2371299 0.80 BACE1 (0.44) BACE1CTSDKCNH2
SCHEMBL2371434 0.76 BACE1 (0.62) BACE1CTSD
SCHEMBL2525687 0.74 BACE1 (0.59) BACE1CTSDKCNH2
SCHEMBL2526343 0.74 BACE1 (0.59) BACE1CTSDKCNH2
SCHEMBL2370646 0.72 BACE1 (0.45) BACE1CTSDKCNH2
SCHEMBL2370445 0.72 BACE1 (0.36) BACE1CTSD
SCHEMBL2370545 0.70 BACE1 (0.47) BACE1CTSDKCNH2
SCHEMBL2371482 0.70 BACE1 (0.54) BACE1CTSDKCNH2

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-2547686-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE Amgen Inc. (US) 2013-01-23 — — EP disclosed
WO-2011115928-A1 AMINO -DIHYDROOXAZINE AND AMINO - DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA - SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC. (US) 2011-09-22 — — WO disclosed