SCHEMBL9304039

SCHEMBL9304039

CCOC(=O)CCCOc1ccc(-c2c(CCN3CCN(c4cc(C)ccn4)CC3)c3cccc4c3n2CCC4)cc1

nearest known ligand 0.51

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 1/20 0.51
MCL1 Q07820 2/20 0.41
BCL2L1 Q07817 1/20 0.41
DRD4 P21917 2/20 0.38
HRH3 Q9Y5N1 5/20 0.36
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
BCL2 P10415 1/20 0.36
HRH2 P25021 2/20 0.36
HRH1 P35367 2/20 0.36
FAAH O00519 2/20 0.36
DRD2 P14416 1/20 0.36
DRD3 P35462 1/20 0.36

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
SCHEMBL8553679 0.89 ALOX5 (0.54) ALOX5MCL1BCL2L1DRD4HRH3
SCHEMBL8557240 0.86 ALOX5 (0.57) ALOX5MCL1BCL2L1DRD4DRD2
SCHEMBL8557304 0.84 ALOX5 (0.65) ALOX5MCL1BCL2L1DRD4DRD2
SCHEMBL8557565 0.77 ALOX5 (0.77) ALOX5MCL1BCL2L1DRD4DRD2
SCHEMBL8560149 0.77 ALOX5 (0.63) ALOX5MCL1BCL2L1DRD4DRD2
Hydrochloric Acid SCHEMBL8555007 0.77 ALOX5 (0.75) ALOX5MCL1BCL2L1DRD4DRD2
SCHEMBL8557119 0.76 ALOX5 (0.64) ALOX5MCL1BCL2L1DRD4BCL2
SCHEMBL9305812 0.75 ALOX5 (0.63) ALOX5MCL1BCL2L1DRD4BCL2
SCHEMBL8554776 0.75 ALOX5 (0.73) ALOX5MCL1BCL2L1DRD4HRH1
SCHEMBL8554623 0.75 ALOX5 (0.70) ALOX5MCL1BCL2L1DRD4DRD2

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
US-5324725-A Antiinflammatory agent, antiallergen KALI-CHEMIE PHARMA GMBH (DE) 1994-06-28 US disclosed