SCHEMBL10696548

SCHEMBL10696548

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.49
ALDH1A1 P00352 1/20 0.49
KMT2A Q03164 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
KCNA5 P22460 6/20 0.47
DRD3 P35462 2/20 0.47
DRD2 P14416 1/20 0.47
HRH3 Q9Y5N1 6/20 0.47
SIGMAR1 Q99720 1/20 0.46
PPARG P37231 2/20 0.44
PPARA Q07869 2/20 0.44
LTA4H P09960 1/20 0.43
PTGS2 P35354 1/20 0.43

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 SCHEMBL10696599 0.99 MEN1 (0.48) MEN1ALDH1A1KMT2AL3MBTL1KCNA5
SCHEMBL10697140 0.91 DRD3 (0.51) KCNA5DRD3DRD2LTA4H
Hydrochloric Acid SCHEMBL10696092 0.90 DRD3 (0.50) KCNA5DRD3DRD2LTA4H
SCHEMBL10696248 0.90 KCNA5 (0.45) ALDH1A1KCNA5DRD3DRD2HRH3
Hydrochloric Acid SCHEMBL10696621 0.89 KCNA5 (0.44) ALDH1A1KCNA5DRD3DRD2HRH3
SCHEMBL10693226 0.81 DRD3 (0.45) DRD3DRD2
SCHEMBL10695039 0.81 OPRM1 (0.39) DRD3DRD2
SCHEMBL10697263 0.80 DRD2 (0.47) MEN1ALDH1A1KMT2AL3MBTL1DRD3
Hydrochloric Acid SCHEMBL10696916 0.80 DRD2 (0.46) ALDH1A1L3MBTL1DRD3DRD2
Hydrochloric Acid SCHEMBL10696100 0.78 KDM4E (0.50) MEN1ALDH1A1KMT2ADRD2HRH3

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