SCHEMBL8034636

SCHEMBL8034636

NC1=N[C@@]2(c3cc(NC(=O)C4=NCC(N)C=C4)cs3)CCOC[C@H]2CS1

nearest known ligand 0.47

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 19/20 0.47
KCNH2 Q12809 3/20 0.47
BACE2 Q9Y5Z0 2/20 0.42
CYP2D6 P10635 1/20 0.35

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
SCHEMBL2932760 0.76 BACE1 (0.77) BACE1KCNH2BACE2
SCHEMBL10288346 0.76 BACE1 (0.65) BACE1KCNH2BACE2CYP2D6
SCHEMBL2620353 0.76 BACE1 (0.77) BACE1KCNH2BACE2
SCHEMBL2932765 0.76 BACE1 (0.77) BACE1KCNH2BACE2
SCHEMBL2925310 0.71 BACE1 (0.38) BACE1KCNH2BACE2
SCHEMBL2925313 0.71 BACE1 (0.38) BACE1KCNH2BACE2
SCHEMBL2620310 0.69 BACE1 (0.47) BACE1BACE2
SCHEMBL2927948 0.69 BACE1 (0.47) BACE1BACE2
SCHEMBL2623023 0.68 BACE1 (0.55) BACE1KCNH2BACE2CYP2D6
SCHEMBL7924115 0.67 BACE1 (0.80) BACE1KCNH2BACE2CYP2D6

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
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 WO disclosed