SCHEMBL9850437

SCHEMBL9850437

c1ccc2c(NCCNCCNc3cccc4[nH]ncc34)ccnc2c1

nearest known ligand 0.61

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.61
ADRA1D P25100 2/20 0.61
ADRA1A P35348 2/20 0.61
ADRA1B P35368 2/20 0.61
FERMT2 Q96AC1 1/20 0.52
RAF1 P04049 11/20 0.49
BRAF P15056 11/20 0.49
HRH3 Q9Y5N1 1/20 0.45
JAK2 O60674 1/20 0.44
JAK1 P23458 1/20 0.44
TDO2 P48775 1/20 0.44

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
SCHEMBL9850498 0.83 BCHE (0.49) JAK2JAK1TDO2
SCHEMBL9850466 0.83 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850695 0.81 HTR1A (0.58) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850424 0.81 HTR1A (0.54) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850407 0.80 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850549 0.80 NOS1 (0.54) JAK2JAK1TDO2
SCHEMBL9850419 0.78 JAK2 (0.44) RAF1BRAFJAK2JAK1TDO2
SCHEMBL10668370 0.77 DRD2 (0.62) JAK2JAK1TDO2
SCHEMBL9850606 0.77 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850591 0.77 HTR1A (0.71) 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