SCHEMBL14554277

SCHEMBL14554277

COc1ccc(Oc2cccc(CN[C@H]3CCN(c4ncccc4C(=O)OC(C)C)C3)c2)cc1

nearest known ligand 0.45

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.45
L3MBTL1 Q9Y468 2/20 0.45
POLB P06746 2/20 0.45
KDM4E B2RXH2 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
OPRK1 P41145 8/20 0.45
LMNA P02545 1/20 0.43
ALDH1A1 P00352 2/20 0.40
DRD2 P14416 1/20 0.40
TSHR P16473 1/20 0.40
HRH3 Q9Y5N1 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL12515871 0.87 OPRK1 (0.48) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2222580 0.87 OPRK1 (0.52) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2222430 0.85 OPRK1 (0.46) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL12517307 0.85 OPRK1 (0.55) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2222432 0.83 MAPT (0.44) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2224091 0.82 OPRK1 (0.55) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2224891 0.82 OPRK1 (0.49) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2222926 0.81 KDM4E (0.55) MAPTL3MBTL1POLBKDM4ENPSR1
Hydrochloric Acid SCHEMBL2225694 0.80 KDM4E (0.54) MAPTL3MBTL1POLBKDM4ENPSR1
SCHEMBL2222498 0.79 OPRK1 (0.59) MAPTL3MBTL1POLBKDM4ENPSR1

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-2013006596-A1 VOLTAGE-GATED SODIUM CHANNEL BLOCKERS GLAXO GROUP LIMITED (GB) 2013-01-10 WO disclosed