SCHEMBL8551539

SCHEMBL8551539

CC(=O)NOCc1ccc2oc(C)c(CCN(C)C)c2c1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1F P30939 1/20 0.39
MTNR1A P48039 5/20 0.36
MTNR1B P49286 5/20 0.36
TBK1 Q9UHD2 1/20 0.36
GAA P10253 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 1/20 0.35
SENP6 Q9GZR1 1/20 0.35
SLC26A4 O43511 3/20 0.35
KMT2A Q03164 3/20 0.35
MEN1 O00255 2/20 0.35
HTR1A P08908 1/20 0.34
HTR1D P28221 1/20 0.34
HTR2C P28335 1/20 0.34
ACHE P22303 2/20 0.34
MAOA P21397 1/20 0.34
MAOB P27338 1/20 0.34
BLM P54132 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL8549838 0.78 ALDH1A1 (0.47) HTR1FKMT2AMEN1ACHE
SCHEMBL8547804 0.73 NPC1 (0.41) HTR1FTBK1GAAKMT2AMEN1
Hydrochloric Acid SCHEMBL8553027 0.72 NPC1 (0.40) HTR1FGAAKMT2AMEN1HTR1A
SCHEMBL8692074 0.71 HPGD (0.45) HTR1FKMT2AMEN1HTTCYP2C19
SCHEMBL8551309 0.69 RAB9A (0.48) HTR1FMTNR1AMTNR1BGAAKMT2A
SCHEMBL8548295 0.69 RAB9A (0.51) GAACASP3SENP8SENP7SENP6
SCHEMBL3602772 0.68 LMNA (0.38) GAAKMT2AMEN1MAOBLMNA
SCHEMBL8547488 0.67 HTR1F (0.53) HTR1FKMT2AMEN1ACHELMNA
SCHEMBL8549636 0.67 HTR1F (0.51) HTR1FGAAKMT2AMEN1HTR1A
SCHEMBL8552580 0.67 HTR1F (0.65) HTR1FKMT2AMEN1HTR1AHTR1D

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
WO-1998015545-A1 NEW SEROTONIN 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 1998-04-16 WO disclosed
EP-0835869-A2 New serotonin 5-HT1F agonists ELI LILLY AND COMPANY (US) 1998-04-15 EP disclosed