SCHEMBL9302789

SCHEMBL9302789

FC(F)(F)c1cccc(CN2CCC(CNCC3COc4ccccc4O3)CC2)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ADRA1D P25100 10/20 0.56
ADRA1A P35348 10/20 0.56
ADRA1B P35368 10/20 0.56
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
POLB P06746 1/20 0.52
MAPT P10636 1/20 0.52
HPGD P15428 1/20 0.52
HTT P42858 1/20 0.52
RECQL P46063 1/20 0.52
KMT2A Q03164 1/20 0.52
KCNH2 Q12809 1/20 0.52
CACNA1I Q9P0X4 1/20 0.52
SIGMAR1 Q99720 4/20 0.50
ALDH1A1 P00352 1/20 0.49
HTR1A P08908 2/20 0.47

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 0.85 ADRA1D (0.59) ADRA1DADRA1AADRA1BSIGMAR1ALDH1A1
SCHEMBL9302823 0.85 ADRA1D (0.62) ADRA1DADRA1AADRA1BMAPTHTT
SCHEMBL9301600 0.83 ADRA1D (0.74) ADRA1DADRA1AADRA1BMEN1KMT2A
SCHEMBL9301625 0.81 ADRA1D (0.54) ADRA1DADRA1AADRA1BMEN1LMNA
SCHEMBL9303125 0.80 ADRA1D (0.63) ADRA1DADRA1AADRA1BSIGMAR1ALDH1A1
SCHEMBL9300949 0.79 ADRA1D (0.66) ADRA1DADRA1AADRA1BPOLBALDH1A1
SCHEMBL9302324 0.78 ADRA1D (0.62) ADRA1DADRA1AADRA1BHPGDKMT2A
SCHEMBL9301658 0.77 ADRA1D (0.64) ADRA1DADRA1AADRA1BPOLBHTR1A
SCHEMBL27536531 0.76 HTR1A (0.54) ADRA1DADRA1AADRA1BSIGMAR1HTR1A
SCHEMBL9302778 0.76 SIGMAR1 (0.46) LMNAMAPTKCNH2CACNA1ISIGMAR1

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