SCHEMBL9850708

SCHEMBL9850708

c1ccc2c(NCCNCCNc3ccnc4ccccc34)nccc2c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.68
ADRA1D P25100 2/20 0.68
ADRA1A P35348 2/20 0.68
ADRA1B P35368 2/20 0.68
FERMT2 Q96AC1 1/20 0.57
HRH3 Q9Y5N1 5/20 0.49
DNMT1 P26358 1/20 0.44
DNMT3A Q9Y6K1 1/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
ALDH1A1 P00352 1/20 0.44
LMNA P02545 1/20 0.44
GLA P06280 1/20 0.44
POLB P06746 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
KMT2A Q03164 1/20 0.44
SMN1; SMN2 Q16637 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
SCHEMBL9850407 0.87 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850459 0.87 CA12 (0.51) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850466 0.87 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850453 0.81 ADRA1A (0.47) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL9850509 0.80 HTR1A (0.66) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850499 0.79 HTR1A (0.64) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850383 0.79 KMT2A (0.46) HTR1AADRA1DADRA1AADRA1BKDM4E
SCHEMBL9850410 0.78 HTR1A (0.62) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.78 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850591 0.78 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