SCHEMBL7465879

SCHEMBL7465879

CN1CCC(c2c[nH]c3ccc(OCCCCC(=O)O)cc23)CC1

nearest known ligand 0.62

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTR1D P28221 14/20 0.60
HTR1B P28222 13/20 0.60
MAPT P10636 1/20 0.56
BLM P54132 1/20 0.56
NPSR1 Q6W5P4 1/20 0.56
CYP1A2 P05177 1/20 0.56
CYP3A4 P08684 1/20 0.56
CYP2D6 P10635 1/20 0.56
CYP2C9 P11712 1/20 0.56
THPO P40225 1/20 0.56
HTR1A P08908 4/20 0.54
HTR1F P30939 3/20 0.54
APP P05067 1/20 0.48

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
SCHEMBL7460796 0.88 HTR1D (0.56) HTR1DHTR1BMAPTBLMNPSR1
Hydrochloric Acid SCHEMBL8617780 0.88 HTR1D (0.55) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL7461651 0.84 HTR1D (0.52) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL5363538 0.79 CYP1A2 (0.60) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL4799796 0.78 MAPT (0.65) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL7485069 0.78 CYP1A2 (0.68) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL7710792 0.78 HTR1D (0.67) HTR1DHTR1BMAPTBLMNPSR1
SCHEMBL7483268 0.77 HTR1D (0.70) HTR1DHTR1BHTR1AHTR1F
SCHEMBL1388908 0.77 HTR1B (0.67) HTR1DHTR1BHTR1A
SCHEMBL1388907 0.77 HTR1B (0.67) HTR1DHTR1BHTR1A

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-0782568-B1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PF MEDICAMENT (FR) 2002-04-24 EP claimed
EP-0782568-B1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PF MEDICAMENT (FR) 2002-04-24 EP disclosed
EP-0782568-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1997-07-09 EP disclosed
WO-1996009288-A1 AROMATIC ETHERS DERIVED FROM INDOLS SUCH AS 5HT1-LIKE LIGANDS PIERRE FABRE MEDICAMENT (FR) 1996-03-28 WO disclosed