SCHEMBL6299405

SCHEMBL6299405

FC(F)(F)c1cccc(C=CCOCC=Cc2cccc(C(F)(F)F)c2Br)c1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NFKB1 P19838 1/20 0.36
TAS2R14 Q9NYV8 1/20 0.35
MAOB P27338 7/20 0.34
NFE2L2 Q16236 5/20 0.33
BACE1 P56817 1/20 0.31
PDE3B Q13370 1/20 0.31
PDE3A Q14432 1/20 0.31
IDO1 P14902 1/20 0.31
MEN1 O00255 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 1/20 0.31
P4HB P07237 1/20 0.31
ABCG2 Q9UNQ0 1/20 0.31
GRIN2D O15399 1/20 0.30
GRIN3B O60391 1/20 0.30
GRIN1 Q05586 1/20 0.30
GRIN2A Q12879 1/20 0.30
GRIN2B Q13224 1/20 0.30
GRIN2C Q14957 1/20 0.30

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
SCHEMBL2095763 0.74 NFKB1 (0.46) NFKB1MAOBNFE2L2BACE1MEN1
SCHEMBL2095766 0.74 NFKB1 (0.46) NFKB1MAOBNFE2L2BACE1MEN1
SCHEMBL11845156 0.72 TAS2R14 (0.41) NFKB1TAS2R14MAOBLMNAP4HB
SCHEMBL17761027 0.72 TAS2R14 (0.44) NFKB1TAS2R14MAOBMEN1LMNA
SCHEMBL27832515 0.71 TAS2R14 (0.41) NFKB1TAS2R14MAOBBACE1MEN1
SCHEMBL1041748 0.70 TAS2R14 (0.46) TAS2R14IDO1LMNA
SCHEMBL431986 0.70 HSD11B1 (0.47) IDO1MEN1KMT2A
SCHEMBL5704312 0.70 HSD11B1 (0.47) IDO1MEN1KMT2A
SCHEMBL8956668 0.67 NFKB1 (0.38) NFKB1MAOBNFE2L2BACE1IDO1
SCHEMBL8956948 0.67 NFKB1 (0.38) NFKB1MAOBNFE2L2BACE1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6967201-B1 for increasing activation of the 5-HT2C receptor in mammals; treatment of depression, obesity, bulimia, premenstrual syndrome, alcoholism, tobacco abuse, panic disorder ELI LILLY AND COMPANY (US) 2005-11-22 US disclosed
US-6881733-B1 Serotonergic benzofurans ELI LILLY AND COMPANY (US) 2005-04-19 US disclosed
EP-1204659-B1 SEROTONERGIC BENZOFURANS LILLY CO ELI (US) 2003-11-26 EP disclosed
EP-1204654-B1 BENZOFURYLPIPERAZINES: 5-HT2C SEROTONIN RECEPTOR AGONISTS LILLY CO ELI (US) 2003-07-23 EP disclosed