SCHEMBL7009508

SCHEMBL7009508

CC(=O)Nc1ccc(-c2ccc3[nH]cc(C4CCN(C)CC4)c3c2)cc1

nearest known ligand 0.83

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.83
HTR1B P28222 13/20 0.83
HTR1A P08908 4/20 0.83
HTR1F P30939 4/20 0.83
APP P05067 1/20 0.59
HTR6 P50406 1/20 0.59
CYP1A2 P05177 1/20 0.59
CYP3A4 P08684 1/20 0.59
CYP2D6 P10635 1/20 0.59
CYP2C9 P11712 1/20 0.59
THPO P40225 1/20 0.59
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56

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
SCHEMBL7487827 0.91 HTR1D (1.00) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7013291 0.85 HTR1D (0.64) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7017007 0.85 HTR1D (0.85) HTR1DHTR1BHTR1AHTR1F
SCHEMBL7487625 0.84 HTR1D (0.72) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7016718 0.83 HTR1D (0.61) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7016353 0.83 HTR1D (0.62) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7842102 0.83 HTR1D (0.64) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7485021 0.82 HTR1D (0.79) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL7335724 0.81 HTR6 (0.68) HTR1DHTR1BHTR1AHTR1FAPP
SCHEMBL27498567 0.81 HTR1D (0.66) HTR1DHTR1BHTR1AHTR1FAPP

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
EP-1089993-B1 5-HT1F AGONISTS LILLY CO ELI (US) 2003-10-22 EP disclosed
US-6358972-B1 FOR THERAPY OF MIGRAINE ELI LILLY AND COMPANY 2002-03-19 US disclosed
EP-1089993-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2001-04-11 EP disclosed
WO-2000000487-A1 5-HT1F AGONISTS ELI LILLY AND COMPANY (US) 2000-01-06 WO disclosed