SCHEMBL3466870

SCHEMBL3466870

O=C1CCC(CCOC2CCCCO2)(c2ccc(F)c(Cl)c2)CN1

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
SLC6A4 P31645 4/20 0.36
SLC6A3 Q01959 4/20 0.36
P2RX3 P56373 5/20 0.36
SLC6A2 P23975 3/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
PARP1 P09874 1/20 0.33
TACR1 P25103 4/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TACR2 P21452 2/20 0.32
KDM4C Q9H3R0 1/20 0.32

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
SCHEMBL7765696 0.92 L3MBTL1 (0.35) SLC6A4SLC6A3P2RX3SLC6A2L3MBTL1
SCHEMBL6950573 0.92 TACR1 (0.39) SLC6A4SLC6A3SLC6A2TACR1TACR2
SCHEMBL7766689 0.87 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2TACR1TACR2
SCHEMBL7764201 0.86 TACR1 (0.40) SLC6A4SLC6A3SLC6A2TACR1MEN1
SCHEMBL5203734 0.84 MEN1 (0.34) P2RX3L3MBTL1MEN1KMT2AKDM4C
SCHEMBL7765670 0.82 SLC6A3 (0.39) SLC6A4SLC6A3SLC6A2TACR1MEN1
SCHEMBL6544366 0.82 SLC6A3 (0.38) SLC6A4SLC6A3SLC6A2TACR1MEN1
SCHEMBL7956526 0.77 MEN1 (0.38) SLC6A4SLC6A3SLC6A2TACR1MEN1
SCHEMBL4630125 0.77 SLC6A3 (0.37) SLC6A4SLC6A3SLC6A2TACR1MEN1
SCHEMBL6957304 0.76 SLC6A2 (0.50) SLC6A4SLC6A3SLC6A2

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
WO-2010071575-A1 QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 WO disclosed
WO-2010071575-A1 QUATERNARY PIPERIDINE DERIVATIVES AND USES THEREOF ASTRAZENECA AB (SE) 2010-06-24 WO disclosed