SCHEMBL6663129

SCHEMBL6663129

CCOC(=O)CCCOc1ccccc1C1(O)CCN(CCC(C(=O)N(C)C)(c2ccccc2)c2ccccc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 18/20 0.55
DRD4 P21917 6/20 0.55
DRD2 P14416 6/20 0.55
DRD3 P35462 6/20 0.55
ADRA2A P08913 3/20 0.55
SLC6A4 P31645 3/20 0.55
MEN1 O00255 2/20 0.55
LMNA P02545 2/20 0.55
ADRB2 P07550 2/20 0.55
OPRD1 P41143 2/20 0.55
OPRK1 P41145 2/20 0.55
HTR2B P41595 2/20 0.55
SLC6A3 Q01959 2/20 0.55
KMT2A Q03164 2/20 0.55
SMN1; SMN2 Q16637 2/20 0.55
SIGMAR1 Q99720 2/20 0.55
SCN1A P35498 2/20 0.55
SCN2A Q99250 2/20 0.55
SCN3A Q9NY46 2/20 0.55
HRH2 P25021 2/20 0.55

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
SCHEMBL7687111 0.91 OPRM1 (0.58) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6661040 0.89 OPRM1 (0.61) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6665100 0.88 OPRM1 (0.60) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6667218 0.87 OPRM1 (0.58) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6663747 0.87 OPRM1 (0.59) OPRM1DRD4DRD2DRD3ADRA2A
Hydrochloric Acid SCHEMBL6661629 0.86 OPRM1 (0.60) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6425299 0.84 OPRM1 (0.62) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL7681109 0.83 OPRM1 (0.55) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6665371 0.80 OPRM1 (0.72) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL7683508 0.79 OPRM1 (0.58) OPRM1DRD4DRD2DRD3ADRA2A

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-1097924-B1 4-hydroxy-4-phenylpiperidine derivatives having opioid agonist activity and pharmaceuticals containing the same SSP CO LTD (JP) 2004-08-25 EP disclosed
EP-1097924-A1 4-hydroxy-4-phenylpiperidine derivatives having -opioid agonist activity and pharmaceuticals containing the same SSP Co., Ltd. (JP) 2001-05-09 EP disclosed