SCHEMBL7464637

SCHEMBL7464637

CN1CCCC1Cc1c[nH]c2ccc(O)cc12

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.76
HTR1D P28221 5/20 0.76
HTR1A P08908 3/20 0.71
HTR6 P50406 8/20 0.69
CHRM2 P08172 1/20 0.58
ADRA2A P08913 1/20 0.58
CHRM1 P11229 1/20 0.58
DRD1 P21728 1/20 0.58
SLC6A2 P23975 1/20 0.58
OPRM1 P35372 1/20 0.58
SLC6A3 Q01959 1/20 0.58
HRH3 Q9Y5N1 1/20 0.58
GABRP O00591 1/20 0.58
GABRD O14764 1/20 0.58
GABRA1 P14867 1/20 0.58
GABRB1 P18505 1/20 0.58
GABRG2 P18507 1/20 0.58
GABRB3 P28472 1/20 0.58
GABRA5 P31644 1/20 0.58
GABRA3 P34903 1/20 0.58

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
SCHEMBL8879229 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8880205 1.00 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8791178 0.96 HTR1B (0.70) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8208343 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8208346 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8508432 0.86 HTR1B (1.00) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL1122175 0.85 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL772429 0.85 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL1122165 0.85 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6CHRM2
SCHEMBL8209086 0.85 HTR1B (0.76) HTR1BHTR1DHTR1AHTR6GABRP

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 6 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 disclosed
US-5852049-A Aromatic ethers derived from indoles which are useful as medicaments PIERRE FABRE MEDICAMENT (FR) 1998-12-22 US disclosed
WO-1997046525-A1 5-ALKOXY-TRYPTAMINE DERIVATIVES, THEIR PREPARATION AND THEIR USE AS 5-HT1D RECEPTOR AGONISTS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-12-11 WO disclosed
US-5654431-A EXHIBIT SELECTIVITY TOWARDS 5-HYDROXYTRYPTAMINE RECEPTORS OF BRAIN CELLS ALLELIX BIOPHARMACEUTICALS INC. (CA) 1997-08-05 US 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