SCHEMBL2619965

SCHEMBL2619965

NC1=N[C@@]2(C3=CC=CCC3F)CCO[C@H](COCc3ccccc3)[C@H]2CS1

nearest known ligand 0.40

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 12/20 0.40
BACE2 Q9Y5Z0 1/20 0.40
TAAR1 Q96RJ0 1/20 0.31
KCNH2 Q12809 1/20 0.31

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
SCHEMBL15165552 0.82 BACE1 (0.34) BACE1BACE2
SCHEMBL2622874 0.81 BACE1 (0.49) BACE1BACE2
SCHEMBL2632346 0.65 BACE1 (0.39) BACE1BACE2TAAR1KCNH2
SCHEMBL2107228 0.61 BACE1 (0.58) BACE1BACE2
SCHEMBL1934833 0.61 BACE1 (0.79) BACE1BACE2
SCHEMBL31081766 0.60 TAAR1 (0.44) TAAR1
SCHEMBL31081818 0.60 TAAR1 (0.44) TAAR1
SCHEMBL8030939 0.59 BACE1 (0.33) BACE1BACE2TAAR1
SCHEMBL16433659 0.59 BACE1 (0.68) BACE1BACE2KCNH2
SCHEMBL2631624 0.59 BACE1 (0.68) 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-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed
US-8158620-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-04-17 US disclosed