SCHEMBL20119087

SCHEMBL20119087

CC1(C)OB(c2cncc(C(=N)OC=N)c2)OC1(C)C

nearest known ligand 0.33

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
F11 P03951 1/20 0.33
FFAR1 O14842 1/20 0.32
P4HB P07237 1/20 0.30

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
SCHEMBL21583190 0.81 F11 (0.39) F11FFAR1
SCHEMBL18567823 0.80 LPL (0.39) P4HB
SCHEMBL18567448 0.80 LIPG (0.41) F11P4HB
SCHEMBL15400281 0.74 FFAR1 (0.36) F11FFAR1P4HB
SCHEMBL1302760 0.74 MKNK1 (0.39) F11FFAR1P4HB
SCHEMBL16872278 0.74 HCAR2 (0.47) F11FFAR1P4HB
SCHEMBL12373176 0.74 LPL (0.44) F11FFAR1
SCHEMBL1052988 0.73 ATM (0.51) F11P4HB
SCHEMBL30121332 0.73 ATM (0.51) F11P4HB
SCHEMBL29588576 0.73 F11 (0.40) F11FFAR1P4HB

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-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP disclosed