SCHEMBL6662830

SCHEMBL6662830

O=C(O)C(CCN1CCC(O)(c2ccccc2OCCO)CC1)(c1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OPRM1 P35372 12/20 0.57
OPRL1 P41146 5/20 0.49
LMNA P02545 4/20 0.47
ADRA2A P08913 3/20 0.47
DRD4 P21917 3/20 0.47
SLC6A4 P31645 3/20 0.47
OPRD1 P41143 3/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HTT P42858 3/20 0.47
HRH2 P25021 2/20 0.47
ADRA1A P35348 2/20 0.47
KCNH2 Q12809 2/20 0.47
SCN5A Q14524 2/20 0.47
ADRB2 P07550 2/20 0.47
OPRK1 P41145 2/20 0.47
HTR2B P41595 2/20 0.47
SLC6A3 Q01959 2/20 0.47
SIGMAR1 Q99720 2/20 0.47

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
SCHEMBL6665569 0.93 OPRM1 (0.49) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6662217 0.88 OPRM1 (0.53) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6661040 0.86 OPRM1 (0.61) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6664277 0.85 OPRM1 (0.47) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6665100 0.85 OPRM1 (0.60) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6663747 0.85 OPRM1 (0.59) OPRM1OPRL1LMNAADRA2ADRD4
Hydrochloric Acid SCHEMBL6661629 0.84 OPRM1 (0.60) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6663581 0.81 OPRM1 (0.59) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6667218 0.79 OPRM1 (0.58) OPRM1OPRL1LMNAADRA2ADRD4
SCHEMBL6664282 0.79 OPRM1 (0.48) OPRM1OPRL1LMNAADRA2ADRD4

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