SCHEMBL9701005

SCHEMBL9701005

NCCNCCN(Cc1nccc(OCc2ccccc2)c1OCc1ccccc1)Cc1nccc(OCc2ccccc2)c1OCc1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 10/20 0.38
ADRA1D P25100 10/20 0.38
ADRA1A P35348 10/20 0.38
ADRA1B P35368 10/20 0.38
LTA4H P09960 1/20 0.36
MAPK14 Q16539 1/20 0.36
BCHE P06276 2/20 0.34
PLAU P00749 1/20 0.34
PLAT P00750 1/20 0.34
LMNA P02545 1/20 0.34
CARM1 Q86X55 1/20 0.34
PRMT1 Q99873 1/20 0.34

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
SCHEMBL9683448 0.80 LTA4H (0.35) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9683450 0.76 LMNA (0.49) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9682296 0.75 BCHE (0.38) LTA4HMAPK14BCHE
SCHEMBL9681836 0.75 LMNA (0.47) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9683651 0.73 MEN1 (0.38) LTA4HMAPK14LMNA
SCHEMBL11293490 0.72 CARM1 (0.47) CARM1
SCHEMBL21121016 0.71 CARM1 (0.46) CARM1
SCHEMBL4898090 0.70 LTA4H (0.45) HTR1ALTA4HMAPK14PLAUPLAT
SCHEMBL9654512 0.70 LTA4H (0.45) HTR1AADRA1DADRA1AADRA1BLTA4H
SCHEMBL9703053 0.70 HTR1A (0.39) HTR1AADRA1DADRA1AADRA1BLTA4H

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