SCHEMBL7465779

SCHEMBL7465779

CC[C@H](CCCOc1ccc2[nH]cc(CC3CCCN3C)c2c1)C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1B P28222 8/20 0.61
HTR1A P08908 3/20 0.61
HTR6 P50406 10/20 0.58
HTR1D P28221 5/20 0.55
CHRM2 P08172 1/20 0.48
ADRA2A P08913 1/20 0.48
CHRM1 P11229 1/20 0.48
DRD1 P21728 1/20 0.48
SLC6A2 P23975 1/20 0.48
OPRM1 P35372 1/20 0.48
SLC6A3 Q01959 1/20 0.48
HRH3 Q9Y5N1 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
SCHEMBL1388907 0.85 HTR1B (0.67) HTR1BHTR1AHTR6HTR1DCHRM2
SCHEMBL1388908 0.85 HTR1B (0.67) HTR1BHTR1AHTR6HTR1DCHRM2
Hydrochloric Acid SCHEMBL8612746 0.84 HTR1B (0.66) HTR1BHTR1AHTR6HTR1DCHRM2
SCHEMBL7465775 0.82 HTR1B (0.62) HTR1BHTR1AHTR6HTR1D
SCHEMBL8932357 0.81 HTR1B (0.76) HTR1BHTR1AHTR6HTR1D
SCHEMBL8932358 0.81 HTR1B (0.76) HTR1BHTR1AHTR6HTR1D
SCHEMBL8879855 0.81 HTR1B (0.72) HTR1BHTR1AHTR6HTR1D
SCHEMBL8808971 0.80 HTR1B (0.70) HTR1BHTR1AHTR6HTR1D
SCHEMBL8617260 0.80 HTR1B (0.70) HTR1BHTR1AHTR6HTR1D
SCHEMBL8879877 0.80 HTR1B (0.59) HTR1BHTR1AHTR6HTR1D

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 1 patent. 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