SCHEMBL12612290

SCHEMBL12612290

CN1CCCOC(C)(C)C1=O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ BRD4 O60885 1/20 0.37
▸ BRD2 P25440 1/20 0.37
▸ LMNA P02545 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ GRIN1 Q05586 2/20 0.33
▸ GRIN2A Q12879 2/20 0.33
▸ OPRM1 P35372 1/20 0.31
▸ SIGMAR1 Q99720 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
SCHEMBL17345852 0.87 LMNA (0.37) BRD4BRD2LMNAOPRM1SIGMAR1
SCHEMBL12612347 0.75 — —
SCHEMBL761946 0.67 GRIN1 (0.42) BRD4BRD2POLBGRIN1GRIN2A
SCHEMBL18650812 0.67 LMNA (0.30) LMNA
SCHEMBL17342257 0.65 PIK3CD (0.39) —
SCHEMBL20102829 0.64 — —
SCHEMBL19028874 0.64 — —
SCHEMBL761697 0.64 — —
SCHEMBL23168692 0.64 GRIN1 (0.40) BRD4BRD2GRIN1GRIN2A
SCHEMBL11224544 0.64 BRD4 (0.48) BRD4BRD2LMNAGRIN1GRIN2A

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-2686307-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F.HOFFMANN-LA ROCHE AG (CH) 2014-01-22 — — EP disclosed
WO-2012126791-A1 1,4-OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2012-09-27 — — WO disclosed
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