SCHEMBL18478403

SCHEMBL18478403

COC[C@H](C)Oc1cnc(C)cn1

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GCK P35557 8/20 0.40
ABL1 P00519 2/20 0.38
KCNH2 Q12809 3/20 0.35
MCHR1 Q99705 1/20 0.34
DHFR P00374 2/20 0.33
DCPS Q96C86 2/20 0.33
CNR2 P34972 1/20 0.32
GRM5 P41594 2/20 0.32
APLNR P35414 1/20 0.31
BACE1 P56817 1/20 0.31
BACE2 Q9Y5Z0 1/20 0.31
RXRA P19793 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2B Q13224 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
SCHEMBL22663460 0.81 GABRP (0.43) MCHR1RXRAGRIN1GRIN2B
SCHEMBL20469408 0.78 CNR2 (0.35) GCKABL1MCHR1DHFRDCPS
SCHEMBL16511358 0.77 KDM4E (0.36) GCKABL1MCHR1DHFRDCPS
SCHEMBL1918671 0.77 ALDH1A1 (0.40)
SCHEMBL18478394 0.76 BACE1 (0.34) GCKGRM5BACE1BACE2RXRA
SCHEMBL17496250 0.76 SIRT6 (0.45) GCKABL1BACE1BACE2
SCHEMBL17496251 0.76 SIRT6 (0.45) GCKABL1BACE1BACE2
SCHEMBL46342 0.73 TSHR (0.37) BACE1
SCHEMBL12301390 0.73 GABRP (0.41) ABL1BACE1RXRAGRIN1GRIN2B
SCHEMBL25009568 0.72 MCHR1 (0.38) GCKABL1KCNH2MCHR1DHFR

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3555106-B1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC (US) 2022-03-09 EP disclosed
WO-2018112084-A1 BICYCLIC THIAZINE AND OXAZINE DERIVATIVES AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2018-06-21 WO disclosed
WO-2017024180-A1 VINYL FLUORIDE CYCLOPROPYL FUSED THIAZIN-2-AMINE COMPOUNDS AS BETA-SECRETASE INHIBITORS AND METHODS OF USE AMGEN INC. (US) 2017-02-09 WO disclosed