SCHEMBL28944683

SCHEMBL28944683

O=C(N1CCCCO1)N1CCCCO1

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPM8 Q7Z2W7 5/20 0.39
ALDH1A1 P00352 3/20 0.36
MEN1 O00255 1/20 0.34
TP53 P04637 1/20 0.34
KMT2A Q03164 1/20 0.34
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
GAA P10253 1/20 0.32
CA2 P00918 1/20 0.30
CHKA P35790 1/20 0.30

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
SCHEMBL28059417 0.92 TRPM8 (0.37) TRPM8ALDH1A1MEN1TP53KMT2A
SCHEMBL21952207 0.82
SCHEMBL16611870 0.80
SCHEMBL7292726 0.80 RAB9A (0.36) TRPM8ALDH1A1MEN1KMT2ANPC1
SCHEMBL16361179 0.80
SCHEMBL12958892 0.80
SCHEMBL8431500 0.80
SCHEMBL19817080 0.78 TRPM8 (0.36) TRPM8ALDH1A1NPC1RAB9A
SCHEMBL17572811 0.75 PKM (0.32) TRPM8RAB9A
SCHEMBL16661734 0.75 L3MBTL1 (0.38) TRPM8ALDH1A1MEN1KMT2ANPC1

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
CN-101646650-B Sub-type selective azabicycloalkane derivatives TARGACEPT INC 2012-06-13 CN disclosed
CN-101646650-A Sub-type selective azabicycloalkane derivatives TARGACEPT INC US 2010-02-10 CN disclosed