SCHEMBL4786804

SCHEMBL4786804

CN1CCC(Oc2cccc3c2C[C@H](NC(=O)c2ccc(OS(=O)(=O)C(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.55
MTNR1B P49286 7/20 0.55
DRD2 P14416 4/20 0.52
DRD3 P35462 3/20 0.52
HTR1D P28221 2/20 0.52
KCNH2 Q12809 1/20 0.42
SCN5A Q14524 1/20 0.42
SCN9A Q15858 1/20 0.42
MAPT P10636 2/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
SLC6A5 Q9Y345 1/20 0.42
HRH3 Q9Y5N1 1/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
SMN1; SMN2 Q16637 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
SCHEMBL4788640 0.85 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL7031622 0.85 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL7031626 0.85 KCNH2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4788553 0.83 KCNH2 (0.55) MTNR1AMTNR1BKCNH2SCN9AMAPT
SCHEMBL4788572 0.82 MTNR1A (0.51) MTNR1AMTNR1BKCNH2SCN5ASCN9A
SCHEMBL4786508 0.81 DRD2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4788623 0.81 DRD2 (0.56) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL4789096 0.79 DRD2 (0.54) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL839320 0.78 MTNR1A (0.46) MTNR1AMTNR1BDRD2DRD3HTR1D
SCHEMBL3807675 0.78 MTNR1A (0.46) MTNR1AMTNR1BDRD2DRD3HTR1D

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
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130319-A2 NOVEL N-TETRAHYDRONAPHTALENE OR N-CHROMANE CARBOXAMIDE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed