SCHEMBL9850384

SCHEMBL9850384

c1cc2c(c(NCCNCCNc3ccnc4ccccc34)c1)CCCC2

nearest known ligand 0.59

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.59
ADRA1D P25100 2/20 0.59
ADRA1A P35348 2/20 0.59
ADRA1B P35368 2/20 0.59
ACHE P22303 3/20 0.55
FERMT2 Q96AC1 1/20 0.51
HRH3 Q9Y5N1 5/20 0.50
HTT P42858 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
NPSR1 Q6W5P4 1/20 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
SCHEMBL9850466 0.82 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
Hydrochloric Acid SCHEMBL9850654 0.80 HTT (0.55) HTTSMN1; SMN2NPSR1
SCHEMBL9850407 0.79 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.78 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850354 0.76 HTT (0.48) HTTSMN1; SMN2NPSR1
SCHEMBL9850591 0.76 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850330 0.76 HTT (0.49) ACHEHTTSMN1; SMN2NPSR1
SCHEMBL9850572 0.75 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL9850499 0.74 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BACHE
SCHEMBL22390094 0.73 HTR1A (1.00) HTR1AADRA1DADRA1AADRA1BACHE

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