SCHEMBL8167014

SCHEMBL8167014

COC(=O)c1ccc(NCc2ccccc2OCc2ccccc2)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 4/20 0.62
MEN1 O00255 3/20 0.62
KMT2A Q03164 3/20 0.62
MAPT P10636 3/20 0.62
THRB P10828 3/20 0.62
L3MBTL1 Q9Y468 3/20 0.62
LMNA P02545 3/20 0.62
TP53 P04637 2/20 0.62
ALDH1A1 P00352 2/20 0.62
BLM P54132 2/20 0.62
TDP1 Q9NUW8 2/20 0.62
KDM4E B2RXH2 2/20 0.62
HPGD P15428 1/20 0.62
SMN1; SMN2 Q16637 2/20 0.51
POLB P06746 1/20 0.51
GABRP O00591 1/20 0.48
GABRD O14764 1/20 0.48
GABRA1 P14867 1/20 0.48
GABRB1 P18505 1/20 0.48
GABRG2 P18507 1/20 0.48

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
SCHEMBL11389738 0.85 CA1 (0.62) MAPTALDH1A1KDM4EGABRPGABRD
SCHEMBL8328179 0.81 PTGER4 (0.60) MEN1KMT2AMAPTL3MBTL1LMNA
SCHEMBL8022247 0.78 GABRA5 (0.52) GAAMEN1KMT2AMAPTTHRB
SCHEMBL14044002 0.78 MAPT (0.75) GAAMEN1KMT2AMAPTTHRB
SCHEMBL9054578 0.77 KDM4E (0.55) GAAMEN1KMT2AMAPTTHRB
SCHEMBL5778364 0.77 GAA (0.70) GAAMEN1KMT2AMAPTTHRB
SCHEMBL17653296 0.77 GAA (1.00) GAAMEN1KMT2AMAPTTHRB
SCHEMBL19194989 0.76 MAPT (0.76) GAAMEN1KMT2AMAPTTHRB
SCHEMBL1973836 0.76 P4HTM (0.73) MEN1KMT2ALMNAALDH1A1HPGD
SCHEMBL18423438 0.75 CA1 (0.55) GABRPGABRDGABRA1GABRB1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-1085663-C Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2002-05-29 CN disclosed
CN-1286254-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 2001-03-07 CN disclosed
EP-0773930-B1 AROMATIC AMINO ETHERS AS PAIN RELIEVING AGENTS ZENECA LTD (GB) 2000-10-11 EP disclosed
US-5843942-A Aromatic amino ethers as pain relieving agents ZENECA LIMITED (GB) 1998-12-01 US disclosed
CN-1154106-A Aromatic amino ethers as analgesic agents ZENECA LTD (GB) 1997-07-09 CN disclosed