SCHEMBL4786508

SCHEMBL4786508

CCNCCOc1cccc2c1C[C@H](NC(=O)c1ccc(OS(=O)(=O)C(F)(F)F)cc1)CC2

nearest known ligand 0.56

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
DRD2 P14416 4/20 0.56
DRD3 P35462 4/20 0.56
HTR1D P28221 3/20 0.56
MTNR1A P48039 7/20 0.54
MTNR1B P49286 7/20 0.54
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
TAOK3 Q9H2K8 4/20 0.42
TAOK1 Q7L7X3 3/20 0.42
BRAF P15056 1/20 0.41
KCNH2 Q12809 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
SCHEMBL4788623 0.88 DRD2 (0.56) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4789096 0.85 DRD2 (0.54) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4750932 0.84 SCN9A (0.50) KCNH2
SCHEMBL4786804 0.81 MTNR1A (0.55) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL7031626 0.78 KCNH2 (0.56) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4788640 0.78 KCNH2 (0.56) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL7031622 0.78 KCNH2 (0.56) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL4786534 0.77 MTNR1A (0.54) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL841202 0.76 SCN9A (0.55) DRD2DRD3HTR1DMTNR1AMTNR1B
SCHEMBL9406454 0.75 MTNR1A (0.69) DRD2DRD3HTR1DMTNR1AMTNR1B

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