SCHEMBL9850697

SCHEMBL9850697

COc1ccccc1NCCNCCNc1ccnc2ccccc12

nearest known ligand 0.66

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 5/20 0.66
ADRA1D P25100 5/20 0.66
ADRA1A P35348 5/20 0.66
ADRA1B P35368 5/20 0.66
FERMT2 Q96AC1 1/20 0.56
CHRM2 P08172 1/20 0.52
GAK O14976 1/20 0.51
RIPK2 O43353 1/20 0.51
COQ8A Q8NI60 1/20 0.51
NLK Q9UBE8 1/20 0.51
HRH3 Q9Y5N1 4/20 0.48
HTT P42858 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 0.86 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.82 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL7504019 0.82 HTR1A (0.61) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL15923066 0.82 HTR1A (0.65) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850407 0.81 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL30307397 0.80 GAK (0.66) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL19283173 0.80 GAK (0.66) HTR1AADRA1DADRA1AADRA1BGAK
SCHEMBL9850591 0.80 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850473 0.79 CHRM2 (0.59) HTR1AADRA1DADRA1AADRA1BCHRM2
SCHEMBL15923436 0.77 HTR1A (0.73) 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