SCHEMBL6663370

SCHEMBL6663370

CN(C)C(=O)C(CCN1CCC(O)(c2ccc(O)cc2)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.82

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 16/20 0.82
DRD4 P21917 5/20 0.82
DRD2 P14416 5/20 0.82
DRD3 P35462 5/20 0.82
ADRA2A P08913 3/20 0.82
SLC6A4 P31645 3/20 0.82
MEN1 O00255 2/20 0.82
LMNA P02545 2/20 0.82
ADRB2 P07550 2/20 0.82
OPRD1 P41143 2/20 0.82
OPRK1 P41145 2/20 0.82
HTR2B P41595 2/20 0.82
SLC6A3 Q01959 2/20 0.82
KMT2A Q03164 2/20 0.82
SMN1; SMN2 Q16637 2/20 0.82
SIGMAR1 Q99720 2/20 0.82
SCN1A P35498 2/20 0.82
SCN2A Q99250 2/20 0.82
SCN3A Q9NY46 2/20 0.82
HRH2 P25021 2/20 0.82

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
SCHEMBL14580937 0.91 OPRM1 (0.82) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL10066897 0.91 OPRM1 (0.82) OPRM1DRD4DRD2DRD3ADRA2A
Loperamide SCHEMBL8409779 0.90 OPRM1 (1.00) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL6896217 0.90 OPRM1 (0.81) OPRM1DRD4DRD2DRD3ADRA2A
SCHEMBL7743931 0.90 OPRM1 (0.81) OPRM1DRD4DRD2DRD3ADRA2A
Loperamide SCHEMBL12387663 0.90 OPRM1 (1.00) OPRM1DRD4DRD2DRD3ADRA2A
Loperamide SCHEMBL28530 0.90 OPRM1 (1.00) OPRM1DRD4DRD2DRD3ADRA2A
Loperamide SCHEMBL15048 0.89 OPRM1 (1.00) OPRM1DRD4DRD2DRD3ADRA2A
Water SCHEMBL8606049 0.89 OPRM1 (0.79) OPRM1DRD4DRD2DRD3ADRA2A
Loperamide SCHEMBL8409268 0.89 OPRM1 (1.00) 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 3 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
US-6362203-B1 ANALGESICS SSP CO., LTD (JP) 2002-03-26 US 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