SCHEMBL7169526

SCHEMBL7169526

CCCOC(=O)n1ccc2ccccc21

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NOTUM Q6P988 1/20 0.56
▸ TSHR P16473 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ HTR3E A5X5Y0 1/20 0.45
▸ HTR3B O95264 1/20 0.45
▸ CHRNB2 P17787 1/20 0.45
▸ CHRNA7 P36544 1/20 0.45
▸ CHRNA4 P43681 1/20 0.45
▸ HTR3A P46098 1/20 0.45
▸ HTR3D Q70Z44 1/20 0.45
▸ HTR3C Q8WXA8 1/20 0.45
▸ ALDH1A1 P00352 4/20 0.45
▸ LMNA P02545 2/20 0.44
▸ ELANE P08246 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ BCHE P06276 1/20 0.40
▸ MAPK1 P28482 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ MEN1 O00255 1/20 0.38

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
SCHEMBL5635573 0.91 NOTUM (0.53) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL600415 0.89 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL30109103 0.89 NOTUM (0.61) NOTUMTSHRRAB9AL3MBTL1HTR3E
Hydrochloric Acid SCHEMBL7492690 0.86 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1HTR3E
Hydrochloric Acid SCHEMBL7492685 0.86 NOTUM (0.57) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL30546903 0.82 NOTUM (0.49) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL7162470 0.82 RAB9A (0.50) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL25433608 0.81 NOTUM (0.49) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL28587036 0.81 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1HTR3E
SCHEMBL30488374 0.79 NOTUM (0.47) NOTUMTSHRRAB9AL3MBTL1HTR3E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2002540192-A — — 2002-11-26 — — JP claimed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 — — EP claimed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 — — WO claimed
US-6566533-B1 Reacting aza-heterocyclic compounds (indoles and carbazoles) with alkyl- or aryl-halides in the presence of carbon dioxide and alkali carbonate WARNER-LAMBERT COMPANY LLC 2003-05-20 — — US disclosed
EP-1165511-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE GÖDECKE GMBH (DE) 2002-01-02 — — EP disclosed
WO-2000058286-A2 METHOD OF PRODUCING HETEROCYCLIC CARBAMATES FROM AZA-HETEROCYCLIC COMPOUNDS AND CARBON DIOXIDE Gödecke GmbH (DE) 2000-10-05 — — WO disclosed
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