SCHEMBL9057945

SCHEMBL9057945

CN1CCN(c2cccc3ccc(OCCCCC(=O)O)cc23)CC1

nearest known ligand 0.74

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 16/20 0.74
HTR1D P28221 11/20 0.74
HTR1B P28222 11/20 0.74
DRD2 P14416 6/20 0.50
HTR2A P28223 5/20 0.50
KCNH2 Q12809 5/20 0.50
SLC6A9 P48067 1/20 0.48
MTNR1B P49286 1/20 0.48
SLC6A4 P31645 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
SCHEMBL9058797 0.87 HTR1A (0.67) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9054738 0.86 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9058520 0.86 HTR1A (0.79) HTR1AHTR1DHTR1BKCNH2SLC6A9
SCHEMBL9057938 0.86 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9058656 0.84 HTR1A (0.58) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9058908 0.84 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9062634 0.84 HTR1A (0.81) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9058789 0.83 HTR1A (0.80) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9059019 0.82 HTR1A (0.64) HTR1AHTR1DHTR1BDRD2HTR2A
SCHEMBL9058518 0.82 HTR1A (0.66) HTR1AHTR1DHTR1BDRD2MTNR1B

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-1996012713-A1 NOVEL NAPHTHYLPIPERAZINE-DERIVED AROMATIC ETHERS FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO claimed
WO-1996012713-A1 NOVEL NAPHTHYLPIPERAZINE-DERIVED AROMATIC ETHERS FOR USE AS DRUGS PIERRE FABRE MEDICAMENT (FR) 1996-05-02 WO disclosed