SCHEMBL4786534

SCHEMBL4786534

CN(C)CCOc1cccc2c1C[C@H](NC(=O)c1ccc(OC(F)(F)F)cc1)CC2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 7/20 0.54
MTNR1B P49286 7/20 0.54
SCN9A Q15858 4/20 0.46
SCN5A Q14524 3/20 0.46
KCNH2 Q12809 2/20 0.46
CYP1A2 P05177 1/20 0.46
MAPT P10636 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
DRD2 P14416 1/20 0.43
HTR1D P28221 1/20 0.43
DRD3 P35462 1/20 0.43
TAOK1 Q7L7X3 2/20 0.42
TAOK3 Q9H2K8 2/20 0.42
TRPV1 Q8NER1 1/20 0.42
DHODH Q02127 1/20 0.42
MCHR1 Q99705 1/20 0.42
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
ACHE P22303 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 0.89 DRD2 (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4787682 0.84 HTR7 (0.51) MTNR1AMTNR1BSCN9ASCN5AKCNH2
SCHEMBL4786508 0.77 DRD2 (0.56) MTNR1AMTNR1BKCNH2CYP1A2MAPT
SCHEMBL4788572 0.76 MTNR1A (0.51) MTNR1AMTNR1BSCN9ASCN5AKCNH2
SCHEMBL4789096 0.74 DRD2 (0.54) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6518723 0.74 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL6518717 0.74 MTNR1A (0.82) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL840204 0.73 SCN9A (0.49) MTNR1AMTNR1BSCN9ASCN5AKCNH2
SCHEMBL839817 0.73 SCN9A (0.54) MTNR1AMTNR1BSCN9ASCN5AKCNH2
SCHEMBL4787985 0.73 MTNR1A (0.48) MTNR1AMTNR1BSCN9ASCN5AKCNH2

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 1 patent. 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 disclosed