SCHEMBL3827832

SCHEMBL3827832

CN1CCN(c2ccc(CN(C(=O)c3ccc(Cl)cc3)C3CCC3)cn2)CC1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGER Q15109 3/20 0.53
RAB9A P51151 3/20 0.52
HTR2A P28223 3/20 0.47
SLC6A9 P48067 4/20 0.43
SLC6A5 Q9Y345 3/20 0.43
KMT2A Q03164 1/20 0.42
ME2 P23368 1/20 0.41
ME1 P48163 1/20 0.41
ME3 Q16798 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
KCNH2 Q12809 2/20 0.40
MTNR1A P48039 1/20 0.40
CHRM2 P08172 1/20 0.40
CHRM3 P20309 1/20 0.40
HTR1A P08908 1/20 0.40
DRD2 P14416 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2C P28335 1/20 0.40
HTR7 P34969 1/20 0.40

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
SCHEMBL3827281 0.99 AGER (0.54) AGERRAB9AHTR2ASLC6A9SLC6A5
SCHEMBL8179598 0.90 HTR2A (0.57) AGERRAB9AHTR2ASLC6A9SLC6A5
SCHEMBL3823818 0.89 AGER (0.48) AGERHTR2ASLC6A9SLC6A5KMT2A
SCHEMBL4737202 0.83 SLC6A9 (0.43) AGERHTR2ASLC6A9SLC6A5KMT2A
SCHEMBL4739773 0.83 SLC6A9 (0.45) AGERHTR2ASLC6A9SLC6A5KMT2A
SCHEMBL3826982 0.82 RAB9A (0.54) RAB9AHTR2AKMT2AME2ME1
SCHEMBL3066199 0.82 DRD2 (0.43) RAB9ASLC6A9SLC6A5SMN1; SMN2L3MBTL1
SCHEMBL3828512 0.81 GAA (0.49) HTR2ASLC6A9SLC6A5L3MBTL1
SCHEMBL3822555 0.80 RAB9A (0.52) RAB9AKMT2AME2ME1ME3
SCHEMBL3822411 0.79 RAB9A (0.51) RAB9AHTR2AKMT2AME2ME1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2097379-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS Wyeth a Corporation of the State of Delaware (US) 2009-09-09 EP claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed
WO-2008073936-A1 CARBOXAMIDE DERIVATIVES AS ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO disclosed