SCHEMBL9688117

SCHEMBL9688117

O=C1CC2CCCN2C(CCc2ccccc2)C1

nearest known ligand 0.50

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC18A2 Q05940 1/20 0.47
HSD11B1 P28845 1/20 0.44

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
SCHEMBL9688582 0.81 SLC18A2 (0.61) SLC18A2
Hydrochloric Acid SCHEMBL9689390 0.80 SLC18A2 (0.59) SLC18A2
SCHEMBL9688093 0.72 CHRNB2 (0.47)
SCHEMBL9688095 0.72 CHRNB2 (0.47)
SCHEMBL9688088 0.72 CHRNB2 (0.47)
SCHEMBL13660514 0.72 CHRNB2 (0.49)
SCHEMBL3878986 0.70 HSD11B1 (0.74) SLC18A2HSD11B1
SCHEMBL581718 0.70 SLC18A2 (0.50) SLC18A2
SCHEMBL20005917 0.69 CYP3A4 (0.45)
SCHEMBL6420430 0.69 SLC18A2 (0.46) SLC18A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0237169-B1 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES McNeilab, Inc. (US) 1992-07-08 EP claimed
EP-0237169-A1 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates McNeilab, Inc. (US) 1987-09-16 EP claimed
EP-0237169-B1 5-SUBSTITUTED OCTAHYDROINDOLIZINE ANALGESICS COMPOUNDS AND 7-KETO INTERMEDIATES McNeilab, Inc. (US) 1992-07-08 EP disclosed
EP-0237169-A1 5-Substituted octahydroindolizine analgesics compounds and 7-keto intermediates McNeilab, Inc. (US) 1987-09-16 EP disclosed
US-4689329-A 5-substituted octahydroindolizine analgesics compounds and 7-keto intermediates MCNEILAB, INC. (US) 1987-08-25 US disclosed