SCHEMBL6185641

SCHEMBL6185641

COc1ccc(CN2CCCC(CCC(C)=O)C2)cc1

nearest known ligand 0.59

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.57
KMT2A Q03164 3/20 0.57
MEN1 O00255 1/20 0.57
POLB P06746 3/20 0.56
TARDBP Q13148 1/20 0.55
NPC1 O15118 1/20 0.52
HRH3 Q9Y5N1 1/20 0.51
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL3705572 0.84 MEN1 (0.59) KDM4EKMT2AMEN1POLB
SCHEMBL14198699 0.82 MAPT (0.67) KDM4EKMT2AMEN1POLB
SCHEMBL3696610 0.81 MEN1 (0.57) KDM4EKMT2AMEN1POLBHRH3
SCHEMBL3692233 0.81 MEN1 (0.61) KDM4EKMT2AMEN1POLB
SCHEMBL13285816 0.80 KDM4E (0.72) KDM4EKMT2AMEN1HRH3L3MBTL1
SCHEMBL8325191 0.80 MEN1 (0.57) KDM4EKMT2AMEN1POLB
SCHEMBL27549340 0.78 KDM4E (0.76) KDM4EKMT2AMEN1
SCHEMBL30291085 0.77 ALDH1A1 (0.66) KDM4EHRH3
SCHEMBL2447400 0.77 GAA (0.72) KDM4EKMT2AMEN1HRH3L3MBTL1
SCHEMBL27569115 0.77 KDM4E (0.74) KDM4EKMT2AMEN1L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1562595-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONISTS ELI LILLY AND COMPANY (US) 2005-08-17 EP disclosed
WO-2004026305-A1 DIARYL ETHERS AS OPIOID RECEPTOR ANTAGONIST ELI LILLY AND COMPANY (US) 2004-04-01 WO disclosed