SCHEMBL8882483

SCHEMBL8882483

COc1cc[n+]([O-])c(C)c1OCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BCHE P06276 13/20 0.47
HTR1A P08908 3/20 0.44
ADRA1D P25100 3/20 0.44
ADRA1A P35348 3/20 0.44
ADRA1B P35368 3/20 0.44
L3MBTL1 Q9Y468 2/20 0.42
MAPT P10636 1/20 0.42
MAPK1 P28482 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 2/20 0.42

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
SCHEMBL4899662 0.91 MAPT (0.49) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL4681858 0.88 MAPT (0.46) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL5595825 0.81 LMNA (0.52) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL8882728 0.81 POLB (0.42) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL4733026 0.80 MAPT (0.59) HTR1AADRA1DADRA1AADRA1BL3MBTL1
SCHEMBL26601857 0.78 MAPT (0.47) HTR1AL3MBTL1MAPTMAPK1TDP1
SCHEMBL1003702 0.77 ACHE (0.37) MAPTTDP1KDM4E
SCHEMBL27277668 0.77 SMN1; SMN2 (0.41) L3MBTL1MAPTMAPK1KDM4E
SCHEMBL21300617 0.76 BCHE (0.67) BCHEHTR1AADRA1DADRA1AADRA1B
SCHEMBL27721108 0.75 MAPT (0.56) HTR1AADRA1DADRA1AADRA1BL3MBTL1

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
US-5620995-A Substituted heterocyclic carboxyamides, their preparation and their use as pharmaceuticals HOECHST AKTIENGESELLSCHAFT (DE) 1997-04-15 US disclosed