SCHEMBL3829698

SCHEMBL3829698

O=C(c1ccc(Cl)cc1)N(Cc1ccc(N2CCN(CCO)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 6/20 0.54
DRD4 P21917 6/20 0.54
TMEM97 Q5BJF2 5/20 0.54
SIGMAR1 Q99720 5/20 0.54
HTR1A P08908 5/20 0.54
HTR2A P28223 5/20 0.54
HTR2C P28335 5/20 0.54
DRD3 P35462 5/20 0.54
HTR7 P34969 4/20 0.54
SLC6A4 P31645 2/20 0.51
OPRM1 P35372 1/20 0.47
OPRK1 P41145 1/20 0.47
HRH3 Q9Y5N1 2/20 0.44
KCNH2 Q12809 1/20 0.44
RAB9A P51151 2/20 0.43
HRH1 P35367 1/20 0.42
DRD1 P21728 1/20 0.41
DRD5 P21918 1/20 0.41
BCL2A1 Q16548 1/20 0.41
PDK1 Q15118 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
SCHEMBL3830820 0.91 DRD2 (0.52) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3824735 0.90 HTR1A (0.52) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3825171 0.90 RAB9A (0.53) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3827024 0.90 RAB9A (0.52) DRD2DRD4TMEM97SIGMAR1HTR1A
Hydrochloric Acid SCHEMBL3822406 0.89 RAB9A (0.52) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3831162 0.89 RAB9A (0.53) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL8182148 0.87 DRD4 (0.47) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3830147 0.86 SIGMAR1 (0.50) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3826499 0.86 HTR1A (0.46) DRD2DRD4TMEM97SIGMAR1HTR1A
SCHEMBL3826319 0.86 DRD4 (0.47) DRD2DRD4TMEM97SIGMAR1HTR1A

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-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