SCHEMBL6336017

SCHEMBL6336017

Brc1ccc2ccoc2c1.CCOC(COc1cccc(Br)c1)OCC

nearest known ligand 0.40

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOB P27338 8/20 0.39
MAOA P21397 1/20 0.37
MRGPRX4 Q96LA9 1/20 0.37
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
KMT2A Q03164 1/20 0.34
HTR1B P28222 2/20 0.34
HSD17B10 Q99714 1/20 0.34
LMNA P02545 1/20 0.33
GABRA1 P14867 1/20 0.33
GABRG2 P18507 1/20 0.33
GABRB3 P28472 1/20 0.33
GABRA5 P31644 1/20 0.33
GABRA3 P34903 1/20 0.33

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
SCHEMBL29421566 0.84 MAOB (0.49) MAOBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL102555 0.84 MAOB (0.49) MAOBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL4027763 0.78 NPSR1 (0.48) KDM4EALDH1A1KMT2AHSD17B10LMNA
SCHEMBL6297991 0.74 MAPK1 (0.46) MAOBKDM4EALDH1A1HTR1BLMNA
SCHEMBL12261469 0.72 MAOB (0.47) MAOBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL23078787 0.71 KDM4E (0.47) MAOBKDM4EALDH1A1KMT2ALMNA
SCHEMBL103816 0.71 CYP2A6 (0.44) MAOAKDM4EALDH1A1KMT2AHTR1B
SCHEMBL8798550 0.70 MAOB (0.51) MAOBKDM4EALDH1A1KMT2AHSD17B10
SCHEMBL2329778 0.70 KDM4E (0.46) MAOBKDM4EALDH1A1KMT2A
SCHEMBL9581238 0.69 CYP2A6 (0.42) MAOAKDM4EALDH1A1KMT2AHTR1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1204654-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2002-05-15 EP disclosed
EP-1149085-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2001-10-31 EP disclosed
WO-2001009111-A1 BENZOFURYLPIPERAZINES AND BENZOFURYLHOMOPIPERAZINES: SEROTONIN AGONISTS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2001009122-A2 SEROTONERGIC BENZOFURANS ELI LILLY AND COMPANY (US) 2001-02-08 WO disclosed
WO-2000044737-A1 AMINOALKYLBENZOFURANS AS SEROTONIN (5-HT(2C)) AGONISTS ELI LILLY AND COMPANY (US) 2000-08-03 WO disclosed