SCHEMBL15418964

SCHEMBL15418964

NC1=N[C@]2(CCO1)c1cc(-c3cccnc3F)ccc1Oc1cnc(C3=CCOCC3)cc12

nearest known ligand 0.86

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.86
CTSD P07339 10/20 0.86
KCNH2 Q12809 1/20 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
SCHEMBL2521724 1.00 BACE1 (0.86) BACE1CTSDKCNH2
SCHEMBL1994579 0.93 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL1994585 0.93 BACE1 (1.00) BACE1CTSDKCNH2
SCHEMBL15418571 0.90 BACE1 (0.87) BACE1CTSDKCNH2
SCHEMBL15418760 0.90 BACE1 (0.87) BACE1CTSDKCNH2
SCHEMBL15418762 0.90 BACE1 (0.87) BACE1CTSDKCNH2
SCHEMBL2521163 0.89 BACE1 (0.73) BACE1CTSD
SCHEMBL15418996 0.89 BACE1 (0.73) BACE1CTSD
SCHEMBL2518103 0.88 BACE1 (0.87) BACE1CTSD
SCHEMBL2518099 0.88 BACE1 (0.87) BACE1CTSD

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
EP-2547686-B1 AMINO-DIHYDROOXAZINE AND AMINO-DIHYDROTHIAZINE SPIRO COMPOUNDS AS BETA-SECRETASE MODULATORS AND THEIR MEDICAL USE AMGEN INC (US) 2014-01-22 EP disclosed