SCHEMBL10695039

SCHEMBL10695039

COC(=O)OC1CN(CCOc2cc(OC)ccc2C)CCC1=O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 11/20 0.39
OPRL1 P41146 11/20 0.39
OPRD1 P41143 4/20 0.39
DRD3 P35462 2/20 0.39
DRD2 P14416 1/20 0.39
HTT P42858 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
TACR1 P25103 1/20 0.38
KCNH2 Q12809 1/20 0.38

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
SCHEMBL10693226 0.91 DRD3 (0.45) DRD3DRD2SMN1; SMN2TACR1
SCHEMBL10697140 0.87 DRD3 (0.51) DRD3DRD2
Hydrochloric Acid SCHEMBL10696092 0.86 DRD3 (0.50) DRD3DRD2
SCHEMBL10696248 0.83 KCNA5 (0.45) DRD3DRD2
SCHEMBL10697263 0.83 DRD2 (0.47) DRD3DRD2
Hydrochloric Acid SCHEMBL10696621 0.83 KCNA5 (0.44) DRD3DRD2
Hydrochloric Acid SCHEMBL10696916 0.82 DRD2 (0.46) DRD3DRD2TACR1
SCHEMBL10696548 0.81 MEN1 (0.49) DRD3DRD2
Hydrochloric Acid SCHEMBL10696599 0.80 MEN1 (0.48) DRD3DRD2
SCHEMBL9631981 0.77 TACR1 (0.37) DRD2SMN1; SMN2TACR1

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