SCHEMBL8908732

SCHEMBL8908732

ICCCCCCNc1ccnc2ccccc12

nearest known ligand 0.85

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.85
ADRA1D P25100 3/20 0.85
ADRA1A P35348 3/20 0.85
ADRA1B P35368 3/20 0.85
FERMT2 Q96AC1 1/20 0.63
HRH3 Q9Y5N1 4/20 0.62
ACHE P22303 3/20 0.56

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
SCHEMBL8907601 1.00 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL18290254 0.92 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15929304 0.92 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL31197367 0.92 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL22390094 0.92 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL21779535 0.85 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL20962990 0.85 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923360 0.85 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL8908387 0.85 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL10527664 0.85 HTR1A (0.85) HTR1AADRA1DADRA1AADRA1BFERMT2

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
WO-1997048705-A1 POTASSIUM CHANNEL BLOCKERS UNIVERSITY COLLEGE LONDON (GB) 1997-12-24 WO disclosed