SCHEMBL4697430

SCHEMBL4697430

Nc1c(Cl)cc(C2=NN(C3CCN(CCc4ccccc4)CC3)CO2)c2c1OCCO2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR4 Q13639 6/20 0.42
SIGMAR1 Q99720 1/20 0.38
MAPT P10636 1/20 0.38
ACHE P22303 1/20 0.38
CCR3 P51677 1/20 0.37
DRD2 P14416 2/20 0.37
CYP1A2 P05177 2/20 0.37
CYP3A4 P08684 2/20 0.37
CYP2D6 P10635 2/20 0.37
ALDH1A1 P00352 1/20 0.37
TSHR P16473 1/20 0.37
DRD4 P21917 1/20 0.37
DRD3 P35462 1/20 0.37
HTR1A P08908 1/20 0.37
SLC6A4 P31645 1/20 0.37
HTR3E A5X5Y0 2/20 0.36
HTR3B O95264 2/20 0.36
HTR2C P28335 2/20 0.36
HTR3A P46098 2/20 0.36
HTR3D Q70Z44 2/20 0.36

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
SCHEMBL27765706 0.82 HTR4 (0.39) HTR4SIGMAR1MAPTDRD2CYP1A2
Capeserod SCHEMBL4707724 0.81 HTR4 (0.45) HTR4SIGMAR1DRD2CYP1A2CYP3A4
SCHEMBL8364833 0.81 HTR4 (0.46) HTR4SIGMAR1ACHEDRD2CYP1A2
Capeserod SCHEMBL399091 0.81 HTR4 (0.44) HTR4SIGMAR1DRD2DRD3HTR2C
SCHEMBL7804895 0.70 HTR4 (0.42) HTR4
SCHEMBL8306432 0.65 HTR4 (0.53) HTR4SIGMAR1CYP1A2CYP3A4CYP2D6
Hydrochloric Acid SCHEMBL8364693 0.64 HTR4 (0.52) HTR4SIGMAR1CYP1A2CYP3A4CYP2D6
SCHEMBL8305672 0.63 DRD2 (0.44) SIGMAR1DRD2DRD4HTR2CCHRM2
SCHEMBL8320569 0.62 HSD11B1 (0.43) HTR4SIGMAR1ACHECYP1A2CYP3A4
SCHEMBL24895553 0.61 CACNA1G (0.55) SIGMAR1MAPTDRD2CYP3A4CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1781262-A1 PHARMACEUTICAL MULTILAYER TABLET FOR CONTROLLED_RELEASE OF ACTIVE INGREDIENTS WITH HIGHLY PH-DEPENDENT SOLUBILITY Sanofi-Aventis (FR) 2007-05-09 EP claimed
WO-2006010640-A1 PHARMACEUTICAL MULTILAYER TABLET FOR CONTROLLED RELEASE OF ACTIVE INGREDIENTS WITH HIGHLY PH-DEPENDENT SOLUBILITY SANOFI-AVENTIS (FR) 2006-02-02 WO claimed
EP-1904037-A1 PROLONGED RELEASE FORMULATION OF ACTIVE PRINCIPLES HAVING A PH-DEPENDENT SOLUBILITY Sanofi-Aventis (FR) 2008-04-02 EP disclosed
WO-2007003746-A1 PROLONGED RELEASE FORMULATION OF ACTIVE PRINCIPLES HAVING A PH-DEPENDENT SOLUBILITY SANOFI-AVENTIS (FR) 2007-01-11 WO disclosed