SCHEMBL3826319

SCHEMBL3826319

O=C(c1ccc(Cl)cc1)N(Cc1ccc(N2CCN(c3ccccn3)CC2)nc1)c1ccc(F)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DRD4 P21917 9/20 0.47
DRD2 P14416 7/20 0.47
HTR1A P08908 5/20 0.47
HTR2A P28223 5/20 0.47
HTR7 P34969 5/20 0.47
DRD3 P35462 5/20 0.47
HTR2C P28335 4/20 0.47
TMEM97 Q5BJF2 4/20 0.47
SIGMAR1 Q99720 4/20 0.47
LMNA P02545 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2D6 P10635 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
TSHR P16473 1/20 0.44
MEN1 O00255 2/20 0.44

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
SCHEMBL3831162 0.89 RAB9A (0.53) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3825171 0.89 RAB9A (0.53) DRD4DRD2HTR1AHTR2AHTR7
Hydrochloric Acid SCHEMBL3822406 0.88 RAB9A (0.52) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3826499 0.87 HTR1A (0.46) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL4739086 0.87 TSHR (0.52) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL4737305 0.87 DRD4 (0.45) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3826843 0.87 MAPKAPK2 (0.47) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3830908 0.87 HTR1A (0.45) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3823664 0.87 MAPT (0.53) DRD4DRD2HTR1AHTR2AHTR7
SCHEMBL3828068 0.86 HTR1A (0.45) DRD4DRD2HTR1AHTR2AHTR7

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