SCHEMBL8123993

SCHEMBL8123993

CC(C)(C)OC(=O)[C@]1(CCCCCN)CCCN1

nearest known ligand 0.42

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 1/20 0.42
ARG2 P78540 1/20 0.42
CYP4F2 P78329 2/20 0.36
CYP4A11 Q02928 2/20 0.36
CPB2 Q96IY4 8/20 0.32
CYP2D6 P10635 5/20 0.32
SLC6A2 P23975 5/20 0.32
SLC6A4 P31645 5/20 0.32
SLC6A3 Q01959 5/20 0.32
KCNH2 Q12809 2/20 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
SCHEMBL8116636 0.94 ARG1 (0.40) ARG1ARG2CYP4F2CYP4A11CYP2D6
SCHEMBL8123261 0.80 ARG1 (0.39) ARG1ARG2CYP4F2CYP4A11CYP2D6
SCHEMBL17395338 0.76 ARG1 (0.37) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL6170436 0.76 ARG1 (0.37) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL8115611 0.75 CA12 (0.41) ARG1ARG2
SCHEMBL8106291 0.75 CYP2D6 (0.33) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL8123898 0.73 CA12 (0.42) ARG1ARG2
SCHEMBL5730696 0.73 CTSK (0.34) ARG1ARG2CYP2D6SLC6A2SLC6A4
SCHEMBL516843 0.73 CYP4F2 (0.51) CYP4F2CYP4A11CPB2
SCHEMBL9637006 0.72 ARG1 (0.32) ARG1ARG2CYP2D6SLC6A2SLC6A4

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-1056733-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 2000-12-06 EP disclosed
WO-1999042458-A1 HISTAMINE H3 RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-26 WO disclosed