SCHEMBL9850591

SCHEMBL9850591

Oc1ccccc1NCCNCCNc1ccnc2ccccc12

nearest known ligand 0.71

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 4/20 0.71
ADRA1D P25100 4/20 0.71
ADRA1A P35348 4/20 0.71
ADRA1B P35368 4/20 0.71
FERMT2 Q96AC1 1/20 0.60
HRH3 Q9Y5N1 5/20 0.51
CYP1A2 P05177 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45

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
SCHEMBL9850466 0.89 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850407 0.84 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.83 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850697 0.80 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850572 0.80 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850499 0.79 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9591573 0.79 HTR1A (0.80) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850708 0.78 HTR1A (0.68) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL17177678 0.78 HTR1A (0.50) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850487 0.78 HTR1A (0.62) 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
EP-0443862-A1 Triamine derivatives and their acid-addition salts SUMITOMO PHARMACEUTICALS COMPANY, LIMITED (JP) 1991-08-28 EP disclosed