SCHEMBL6661642

SCHEMBL6661642

COC(=O)C(CCN1CCC(O)(c2ccccc2O)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.72
OPRL1 P41146 5/20 0.72
CCR1 P32246 5/20 0.63
ADRA2A P08913 3/20 0.54
DRD4 P21917 3/20 0.54
SLC6A4 P31645 3/20 0.54
HRH2 P25021 2/20 0.54
ADRA1A P35348 2/20 0.54
KCNH2 Q12809 2/20 0.54
SCN5A Q14524 2/20 0.54
ADRA2B P18089 1/20 0.54
ADRA2C P18825 1/20 0.54
HRH1 P35367 1/20 0.54
HRH3 Q9Y5N1 1/20 0.54
OPRD1 P41143 3/20 0.52
MEN1 O00255 2/20 0.52
LMNA P02545 2/20 0.52
ADRB2 P07550 2/20 0.52
OPRK1 P41145 2/20 0.52
HTR2B P41595 2/20 0.52

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
SCHEMBL6665371 0.84 OPRM1 (0.72) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL6663581 0.83 OPRM1 (0.59) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL6661585 0.82 OPRM1 (0.58) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL6662792 0.82 OPRM1 (0.55) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL6841843 0.82 OPRM1 (0.55) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL6662830 0.75 OPRM1 (0.57) OPRM1OPRL1CCR1ADRA2ADRD4
Water SCHEMBL7738863 0.74 OPRM1 (0.67) OPRM1OPRL1ADRA2ADRD4SLC6A4
SCHEMBL6661392 0.74 KCNA3 (0.77) CCR1RAB9ANPSR1KCNA3CCR3
SCHEMBL6662217 0.74 OPRM1 (0.53) OPRM1OPRL1CCR1ADRA2ADRD4
SCHEMBL5092029 0.74 SLC6A9 (0.60) OPRM1OPRL1ADRA2ADRD4SLC6A4

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