SCHEMBL10696248

SCHEMBL10696248

COC(=O)OC1CN(CCOc2ccc(C)cc2)CCC1=O

nearest known ligand 0.50

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNA5 P22460 8/20 0.45
LTA4H P09960 3/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
LMNA P02545 1/20 0.42
HRH2 P25021 1/20 0.41
HRH1 P35367 1/20 0.41

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
Hydrochloric Acid SCHEMBL10696621 0.99 KCNA5 (0.44) KCNA5LTA4HDRD3DRD2HRH3
SCHEMBL10697140 0.92 DRD3 (0.51) KCNA5LTA4HDRD3DRD2LMNA
Hydrochloric Acid SCHEMBL10696092 0.91 DRD3 (0.50) KCNA5LTA4HDRD3DRD2LMNA
SCHEMBL10696548 0.90 MEN1 (0.49) KCNA5LTA4HDRD3DRD2HRH3
Hydrochloric Acid SCHEMBL10696599 0.89 MEN1 (0.48) KCNA5LTA4HDRD3DRD2HRH3
SCHEMBL10695039 0.83 OPRM1 (0.39) DRD3DRD2
SCHEMBL10693226 0.82 DRD3 (0.45) DRD3DRD2
SCHEMBL10697263 0.81 DRD2 (0.47) DRD3DRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10696916 0.81 DRD2 (0.46) DRD3DRD2KDM4EALDH1A1
Hydrochloric Acid SCHEMBL10696100 0.79 KDM4E (0.50) LTA4HDRD2HRH3KDM4EALDH1A1

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 claimed