SCHEMBL9703053

SCHEMBL9703053

NCCC(CCNCCC(CCN)c1nccc(OCc2ccccc2)c1OCc1ccccc1)c1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.39
ADRA1D P25100 10/20 0.39
ADRA1A P35348 10/20 0.39
ADRA1B P35368 10/20 0.39
LTA4H P09960 1/20 0.38
MAPK14 Q16539 1/20 0.38
LMNA P02545 2/20 0.35
ALDH1A1 P00352 3/20 0.34
BCHE P06276 2/20 0.34
POLB P06746 1/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
DPP7 Q9UHL4 1/20 0.34
MAPK1 P28482 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33

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
SCHEMBL9683450 0.70 LMNA (0.49) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL7720531 0.70 LTA4H (0.49) HTR1ALTA4HMAPK14LMNAALDH1A1
SCHEMBL9701005 0.70 HTR1A (0.38) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9682277 0.69 HTR1A (0.42) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9681836 0.69 LMNA (0.47) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL4898749 0.66 L3MBTL1 (0.53) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL8529216 0.66 MEN1 (0.46) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL4903979 0.66 MAPT (0.46) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9654512 0.64 LTA4H (0.45) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL4898090 0.64 LTA4H (0.45) HTR1ALTA4HMAPK14LMNAKMT2A

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
WO-1992013841-A1 COMPLEXING AGENTS BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1992-08-20 WO disclosed