SCHEMBL9850487

SCHEMBL9850487

O=[N+]([O-])c1ccccc1NCCNCCNc1ccnc2ccccc12

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 2/20 0.62
ADRA1D P25100 2/20 0.62
ADRA1A P35348 2/20 0.62
ADRA1B P35368 2/20 0.62
MAPT P10636 5/20 0.54
FERMT2 Q96AC1 1/20 0.53
KAT2B Q92831 2/20 0.52
CCNC P24863 1/20 0.49
CDK8 P49336 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
RAB9A P51151 2/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 2/20 0.47
NSD2 O96028 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
MEN1 O00255 1/20 0.47
MAPK1 P28482 1/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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 0.84 HTR1A (0.89) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850428 0.80 ALDH1A1 (0.60) MAPTKAT2BSMN1; SMN2RAB9ANPC1
SCHEMBL9850407 0.79 HTR1A (0.73) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9850591 0.78 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BFERMT2
SCHEMBL9850606 0.78 HTR1A (0.71) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL6198859 0.78 KAT2B (0.80) MAPTKAT2BSMN1; SMN2RAB9ANPC1
SCHEMBL23202935 0.75 CCNC (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9850357 0.75 PDE10A (0.57) MAPTKAT2BSMN1; SMN2RAB9ANPC1
SCHEMBL30827842 0.75 CCNC (0.74) HTR1AADRA1DADRA1AADRA1BMAPT
SCHEMBL9850697 0.74 HTR1A (0.66) 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