SCHEMBL17296552

SCHEMBL17296552

COCC1C[C@H]2CSC(NC(=O)c3ccccc3)=N[C@@]2(c2cc(Br)c(F)cc2F)CO1

nearest known ligand 0.53

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.53
BACE2 Q9Y5Z0 2/20 0.52
KCNH2 Q12809 3/20 0.43

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
SCHEMBL15783590 1.00 BACE1 (0.53) BACE1BACE2KCNH2
SCHEMBL15783586 0.90 BACE1 (0.51) BACE1BACE2KCNH2
SCHEMBL17296553 0.90 BACE1 (0.51) BACE1BACE2KCNH2
SCHEMBL17296547 0.90 BACE1 (0.50) BACE1BACE2KCNH2
SCHEMBL15799799 0.90 BACE1 (0.51) BACE1BACE2KCNH2
SCHEMBL15783584 0.90 BACE1 (0.50) BACE1BACE2KCNH2
SCHEMBL15799731 0.90 BACE1 (0.57) BACE1BACE2KCNH2
SCHEMBL15783582 0.90 BACE1 (0.57) BACE1BACE2KCNH2
SCHEMBL17296551 0.90 BACE1 (0.57) BACE1BACE2KCNH2
SCHEMBL9913407 0.90 BACE1 (0.66) BACE1BACE2KCNH2

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-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed
US-9198917-B2 Hexahydropyrano[3,4-d][1,3]thiazin-2-amine compounds PFIZER INC. (US) 2015-12-01 US disclosed