SCHEMBL4787682

SCHEMBL4787682

O=C(N[C@@H]1CCc2cccc(OCCN3CCCC3)c2C1)c1ccc(OC(F)(F)F)cc1

nearest known ligand 0.51

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 5/20 0.51
MTNR1A P48039 4/20 0.50
MTNR1B P49286 4/20 0.50
KCNH2 Q12809 2/20 0.48
SCN9A Q15858 2/20 0.48
SCN5A Q14524 1/20 0.48
ABL1 P00519 1/20 0.46
HTR1A P08908 1/20 0.45
TRPV1 Q8NER1 2/20 0.45
DRD4 P21917 1/20 0.43
HTR2A P28223 1/20 0.43
S1PR5 Q9H228 1/20 0.42
DHODH Q02127 1/20 0.42
CYP1A2 P05177 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
ALOX15 P16050 1/20 0.42
MCHR1 Q99705 1/20 0.42

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
SCHEMBL4786534 0.84 MTNR1A (0.54) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788581 0.81 HTR7 (0.47) HTR7MTNR1AMTNR1BHTR1AHTR2A
SCHEMBL4788572 0.80 MTNR1A (0.51) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788623 0.74 DRD2 (0.56) MTNR1AMTNR1BCYP1A2MAPTCYP2C9
SCHEMBL4786508 0.74 DRD2 (0.56) MTNR1AMTNR1BKCNH2CYP1A2MAPT
SCHEMBL4789252 0.74 KCNH2 (0.50) HTR7MTNR1AMTNR1BKCNH2SCN9A
SCHEMBL839817 0.73 SCN9A (0.54) MTNR1AMTNR1BKCNH2SCN9ASCN5A
SCHEMBL4788553 0.72 KCNH2 (0.55) MTNR1AMTNR1BKCNH2SCN9ACYP1A2
SCHEMBL4788836 0.72 HRH3 (0.54) CYP1A2
SCHEMBL4746920 0.71 KCNH2 (0.61) MTNR1AMTNR1BKCNH2SCN9ASCN5A

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