SCHEMBL8808971

SCHEMBL8808971

CN1CCC[C@@H]1Cc1c[nH]c2ccc(OCCCCCCN)cc12

nearest known ligand 0.70

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 13/20 0.70
HTR1A P08908 9/20 0.70
HTR6 P50406 7/20 0.67
HTR1D P28221 11/20 0.62
KDM4E B2RXH2 1/20 0.53
TP53 P04637 1/20 0.53
CYP1A2 P05177 1/20 0.53
CYP3A4 P08684 1/20 0.53
CYP2D6 P10635 1/20 0.53
MAPT P10636 1/20 0.53
CYP2C9 P11712 1/20 0.53
HTR2A P28223 1/20 0.53
MAPK1 P28482 1/20 0.53
CYP2C19 P33261 1/20 0.53
TDP1 Q9NUW8 1/20 0.53

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
SCHEMBL8617260 1.00 HTR1B (0.70) HTR1BHTR1AHTR6HTR1DKDM4E
SCHEMBL8879855 0.99 HTR1B (0.72) HTR1BHTR1AHTR6HTR1D
SCHEMBL8932357 0.88 HTR1B (0.76) HTR1BHTR1AHTR6HTR1D
SCHEMBL8932358 0.88 HTR1B (0.76) HTR1BHTR1AHTR6HTR1D
SCHEMBL8615007 0.87 HTR1B (0.67) HTR1BHTR1AHTR6HTR1D
SCHEMBL1388908 0.85 HTR1B (0.67) HTR1BHTR1AHTR6HTR1D
SCHEMBL1388907 0.85 HTR1B (0.67) HTR1BHTR1AHTR6HTR1D
Hydrochloric Acid SCHEMBL8612746 0.85 HTR1B (0.66) HTR1BHTR1AHTR6HTR1D
Hydrochloric Acid SCHEMBL8614368 0.84 HTR1B (0.61) HTR1BHTR1AHTR6HTR1DHTR2A
SCHEMBL8881179 0.84 HTR1B (0.61) HTR1BHTR1AHTR6HTR1DMAPT

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
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