SCHEMBL9301658

SCHEMBL9301658

Cc1ccccc1CN1CCC(CNCC2COc3ccccc3O2)CC1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 13/20 0.64
ADRA1A P35348 13/20 0.64
ADRA1B P35368 13/20 0.64
CXCR4 P61073 1/20 0.57
HTR1A P08908 1/20 0.51
DRD2 P14416 1/20 0.51
DRD4 P21917 1/20 0.51
HTR2C P28335 1/20 0.51
DRD3 P35462 1/20 0.51
POLB P06746 1/20 0.50
ESR2 Q92731 1/20 0.50
ACHE P22303 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
SCHEMBL9302324 0.88 ADRA1D (0.62) ADRA1DADRA1AADRA1BHTR1A
SCHEMBL9303125 0.86 ADRA1D (0.63) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9303150 0.83 ADRA1D (0.59) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9302823 0.79 ADRA1D (0.62) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9301600 0.79 ADRA1D (0.74) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9300949 0.79 ADRA1D (0.66) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL7471573 0.78 ADRA1D (1.00) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL13493621 0.77 ADRA1D (0.65) ADRA1DADRA1AADRA1BPOLBESR2
Hydrochloric Acid SCHEMBL8124825 0.77 ADRA1D (0.98) ADRA1DADRA1AADRA1BHTR1ADRD2
SCHEMBL9302789 0.77 ADRA1D (0.56) ADRA1DADRA1AADRA1BHTR1APOLB

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