SCHEMBL10698430

SCHEMBL10698430

COC(=O)OC1CN(CCOc2ccc(C)cc2)CCC1Cl

nearest known ligand 0.49

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 4/20 0.47
HRH3 Q9Y5N1 1/20 0.46
KCNA5 P22460 6/20 0.46
HRH2 P25021 2/20 0.43
HRH1 P35367 2/20 0.43
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
KDM1A O60341 1/20 0.42
DRD2 P14416 1/20 0.42
DRD3 P35462 1/20 0.42

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
SCHEMBL10698104 0.88 LTA4H (0.47) LTA4HHRH3KCNA5HRH2HRH1
SCHEMBL10695019 0.80 KDM4E (0.53) LTA4HHRH3KCNA5KDM4EALDH1A1
SCHEMBL10696248 0.77 KCNA5 (0.45) LTA4HHRH3KCNA5HRH2HRH1
Hydrochloric Acid SCHEMBL10696621 0.76 KCNA5 (0.44) LTA4HHRH3KCNA5HRH2HRH1
Hydrochloric Acid SCHEMBL10691702 0.76 KCNA5 (0.48) LTA4HHRH3KCNA5HRH2HRH1
SCHEMBL13980797 0.73 LTA4H (0.67) LTA4HHRH3HRH2HRH1ALDH1A1
SCHEMBL10191924 0.73 LTA4H (0.67) LTA4HHRH3HRH2HRH1ALDH1A1
SCHEMBL14570558 0.70 HRH3 (0.66) LTA4HHRH3KCNA5HRH2HRH1
SCHEMBL10696993 0.70 KDM4E (0.54) LTA4HHRH3KCNA5HRH2HRH1
SCHEMBL10696548 0.70 MEN1 (0.49) LTA4HHRH3KCNA5ALDH1A1DRD2

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-0252876-A1 Hydrogenated 1-phenoxyalkylpyridine-3-carboxylic-acid compounds CIBA-GEIGY AG (CH) 1988-01-13 EP disclosed