SCHEMBL3824735

SCHEMBL3824735

CN(C)CCN1CCN(c2ccc(CN(C(=O)c3ccc(Cl)cc3)c3ccc(F)cc3)cn2)CC1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 6/20 0.52
TMEM97 Q5BJF2 5/20 0.52
SIGMAR1 Q99720 5/20 0.52
DRD2 P14416 5/20 0.52
DRD4 P21917 5/20 0.52
HTR2A P28223 5/20 0.52
HTR2C P28335 5/20 0.52
DRD3 P35462 5/20 0.52
HTR7 P34969 4/20 0.52
SLC6A4 P31645 2/20 0.49
OPRM1 P35372 1/20 0.45
OPRK1 P41145 1/20 0.45
RAB9A P51151 2/20 0.43
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
ADRA1A P35348 1/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41

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
SCHEMBL3829698 0.90 DRD2 (0.54) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3825171 0.89 RAB9A (0.53) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3827024 0.89 RAB9A (0.52) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3830820 0.89 DRD2 (0.52) HTR1ATMEM97SIGMAR1DRD2DRD4
Hydrochloric Acid SCHEMBL3822406 0.88 RAB9A (0.52) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL8182148 0.88 DRD4 (0.47) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3831162 0.86 RAB9A (0.53) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3830147 0.86 SIGMAR1 (0.50) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3826499 0.86 HTR1A (0.46) HTR1ATMEM97SIGMAR1DRD2DRD4
SCHEMBL3828068 0.85 HTR1A (0.45) HTR1ATMEM97SIGMAR1DRD2DRD4

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