SCHEMBL28058505

SCHEMBL28058505

CN1CC(C)(C)c2ccccc21.COc1cccc2c1OCC=C2

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP2B6 P20813 1/20 0.33
NOTUM Q6P988 1/20 0.33
DRD2 P14416 1/20 0.32
DRD3 P35462 1/20 0.32
KMT2A Q03164 1/20 0.31
OPRM1 P35372 2/20 0.30
OPRD1 P41143 2/20 0.30
OPRK1 P41145 2/20 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
SCHEMBL7520140 0.79 KMT2A (0.43) CYP2B6KMT2A
SCHEMBL28837189 0.76 CTNNB1 (0.36) NOTUMDRD2DRD3KMT2AOPRM1
SCHEMBL538625 0.71 NOTUM (0.55) NOTUMKMT2A
SCHEMBL29450354 0.71 NOTUM (0.55) NOTUMKMT2A
Iodide SCHEMBL28271700 0.70 NOTUM (0.53) NOTUMKMT2A
SCHEMBL17771772 0.68 DRD2 (0.42) NOTUMDRD2DRD3
O-Xylene SCHEMBL8919296 0.66 NOTUM (0.49) NOTUMKMT2A
SCHEMBL8862472 0.65 MAPT (0.34) DRD2DRD3KMT2AOPRM1OPRD1
SCHEMBL6102948 0.64 MAPT (0.54) DRD2DRD3KMT2A
Perchlorate SCHEMBL30037037 0.64 NOTUM (0.50) NOTUM

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
CN-105336365-A Solid, multi-state molecular random access memory (RAM) YEDA RES & DEV 2016-02-17 CN disclosed