SCHEMBL9368593

SCHEMBL9368593

COc1ccccc1N1CCN(CCCCc2c[nH]c3ccc(F)cc23)CC1

nearest known ligand 0.92

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 11/20 0.92
HTR7 P34969 6/20 0.92
KCNH2 Q12809 5/20 0.92
SLC6A4 P31645 4/20 0.92
MPO P05164 1/20 0.68
HTR6 P50406 1/20 0.68
ADRA1A P35348 1/20 0.67

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
SCHEMBL6589735 0.92 HTR1A (0.89) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6594438 0.91 HTR1A (0.86) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL9367741 0.90 HTR1A (0.74) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL7461356 0.89 HTR1A (0.76) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL6589839 0.87 HTR1A (0.80) HTR1AHTR7KCNH2SLC6A4MPO
SCHEMBL8539217 0.87 KCNH2 (0.73) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL11820831 0.86 HTR1A (0.79) HTR1AHTR7KCNH2SLC6A4HTR6
SCHEMBL7466625 0.86 HTR1A (0.73) HTR1AHTR7KCNH2SLC6A4
SCHEMBL9266136 0.86 HTR1A (0.69) HTR1AHTR7KCNH2SLC6A4ADRA1A
SCHEMBL8543460 0.85 ADRA2A (0.73) HTR1AHTR7KCNH2SLC6A4ADRA1A

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0376607-B1 Piperazinyl derivatives LUNDBECK & CO AS H (DK) 1994-03-02 EP disclosed