SCHEMBL2926311

SCHEMBL2926311

COC1CCC2(c3cc(NC(=O)c4ccc(OC(F)F)cn4)ccc3F)N=C(N)SCC2C1

nearest known ligand 0.74

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 20/20 0.74
KCNH2 Q12809 6/20 0.74
CYP2D6 P10635 2/20 0.74
BACE2 Q9Y5Z0 5/20 0.60

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
SCHEMBL2620272 1.00 BACE1 (0.74) BACE1KCNH2CYP2D6BACE2
SCHEMBL2620181 0.93 BACE1 (0.76) BACE1KCNH2CYP2D6BACE2
SCHEMBL4363533 0.93 BACE1 (0.76) BACE1KCNH2CYP2D6BACE2
SCHEMBL2620270 0.91 BACE1 (0.61) BACE1KCNH2CYP2D6BACE2
SCHEMBL2929801 0.91 BACE1 (0.61) BACE1KCNH2CYP2D6BACE2
SCHEMBL2620271 0.90 BACE1 (0.70) BACE1KCNH2CYP2D6BACE2
SCHEMBL2930862 0.90 BACE1 (0.70) BACE1KCNH2CYP2D6BACE2
SCHEMBL8030166 0.90 BACE1 (0.70) BACE1KCNH2CYP2D6BACE2
SCHEMBL2930859 0.90 BACE1 (0.70) BACE1KCNH2CYP2D6BACE2
SCHEMBL2108922 0.88 BACE1 (0.79) BACE1KCNH2CYP2D6BACE2

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-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed