SCHEMBL9300949

SCHEMBL9300949

COc1ccc(CN2CCC(CNCC3COc4ccccc4O3)CC2)cc1OC

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 14/20 0.66
ADRA1A P35348 14/20 0.66
ADRA1B P35368 14/20 0.66
HTR1A P08908 1/20 0.57
DRD2 P14416 1/20 0.57
DRD4 P21917 1/20 0.57
HTR2C P28335 1/20 0.57
DRD3 P35462 1/20 0.57
ACHE P22303 1/20 0.52
BACE1 P56817 1/20 0.52
ALDH1A1 P00352 1/20 0.52
POLB P06746 1/20 0.52

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
SCHEMBL9301600 0.86 ADRA1D (0.74) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9303125 0.84 ADRA1D (0.63) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9303150 0.83 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9302823 0.81 ADRA1D (0.62) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7468922 0.80 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7467019 0.80 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7466851 0.80 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL8890855 0.79 ALDH1A1 (0.67) ADRA1DADRA1AADRA1BHTR1AALDH1A1
Hydrochloric Acid SCHEMBL8117952 0.79 ADRA1D (0.98) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302789 0.79 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1AALDH1A1

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
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US claimed
US-5286735-A Antidepressants, anxiolytic agents PIERRE FABRE MEDICAMENT (FR) 1994-02-15 US disclosed