SCHEMBL3828819

SCHEMBL3828819

C1=CCC2CCNCC2=C1.[Sn]

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
SLC18A3 Q16572 1/20 0.31
SIGMAR1 Q99720 1/20 0.31

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
SCHEMBL231964 0.98 SLC18A3 (0.32) SLC18A3SIGMAR1
Hydrochloric Acid SCHEMBL28354165 0.96 SLC18A3 (0.31) SLC18A3SIGMAR1
SCHEMBL29859614 0.81 SLC18A3 (0.35) SLC18A3SIGMAR1
SCHEMBL165871 0.78
SCHEMBL23223078 0.76
SCHEMBL28493181 0.76
Piperazine SCHEMBL27877942 0.72
SCHEMBL4754795 0.70
SCHEMBL11529807 0.68
SCHEMBL7380608 0.68

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-2099764-A1 PREPARATION OF SUBSTITUTED MORPHINAN-6-ONES AND SALTS AND INTERMEDIATES THEREOF Mallinckrodt Inc. (US) 2009-09-16 EP disclosed
WO-2008036172-A1 PREPARATION OF SUBSTITUTED MORPHINAN-6-ONES AND SALTS AND INTERMEDIATES THEREOF MALLINCKRODT INC. (US) 2008-03-27 WO disclosed