SCHEMBL9301600

SCHEMBL9301600

COc1cccc(CN2CCC(CNCC3COc4ccccc4O3)CC2)c1

nearest known ligand 0.74

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.74
ADRA1A P35348 13/20 0.74
ADRA1B P35368 13/20 0.74
HTR1A P08908 1/20 0.52
DRD2 P14416 1/20 0.52
DRD4 P21917 1/20 0.52
HTR2C P28335 1/20 0.52
DRD3 P35462 1/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
ALDH1A1 P00352 1/20 0.49

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
SCHEMBL9303150 0.87 ADRA1D (0.59) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL9300949 0.86 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302823 0.85 ADRA1D (0.62) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7464233 0.85 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
Hydrochloric Acid SCHEMBL8118058 0.84 ADRA1D (0.98) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302550 0.84 ADRA1A (0.53) ADRA1DADRA1AADRA1BDRD4MEN1
SCHEMBL9302789 0.83 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1AMEN1
SCHEMBL9303125 0.82 ADRA1D (0.63) ADRA1DADRA1AADRA1BHTR1AALDH1A1
SCHEMBL7466659 0.79 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9301658 0.79 ADRA1D (0.64) ADRA1DADRA1AADRA1BHTR1ADRD2

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