SCHEMBL9303150

SCHEMBL9303150

Cc1cccc(CN2CCC(CNCC3COc4ccccc4O3)CC2)c1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.59
ADRA1A P35348 10/20 0.59
ADRA1B P35368 10/20 0.59
CXCR4 P61073 5/20 0.56
ALDH1A1 P00352 1/20 0.52
HTR1A P08908 2/20 0.50
SIGMAR1 Q99720 2/20 0.50

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
SCHEMBL9303125 0.89 ADRA1D (0.63) ADRA1DADRA1AADRA1BCXCR4ALDH1A1
SCHEMBL9302823 0.88 ADRA1D (0.62) ADRA1DADRA1AADRA1BCXCR4ALDH1A1
SCHEMBL9301600 0.87 ADRA1D (0.74) ADRA1DADRA1AADRA1BALDH1A1HTR1A
SCHEMBL9301871 0.86 CXCR4 (0.61) CXCR4
SCHEMBL9302789 0.85 ADRA1D (0.56) ADRA1DADRA1AADRA1BALDH1A1HTR1A
SCHEMBL9300949 0.83 ADRA1D (0.66) ADRA1DADRA1AADRA1BALDH1A1HTR1A
SCHEMBL9301885 0.83 CXCR4 (0.56) ADRA1ACXCR4
SCHEMBL9301658 0.83 ADRA1D (0.64) ADRA1DADRA1AADRA1BCXCR4HTR1A
SCHEMBL9302815 0.83 ADRA1D (0.58) ADRA1DADRA1AADRA1BCXCR4ALDH1A1
SCHEMBL9302313 0.80 ADRA1D (0.57) ADRA1DADRA1AADRA1BALDH1A1

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