SCHEMBL4746920

SCHEMBL4746920

CN1CCN(c2ccc(C(=O)O)c3c2C[C@H](NC(=O)c2ccc(OC(F)(F)F)cc2)CC3)CC1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 6/20 0.61
SCN9A Q15858 6/20 0.61
SCN5A Q14524 5/20 0.61
BTK Q06187 1/20 0.42
SLC6A5 Q9Y345 2/20 0.42
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
PRKAA2 P54646 1/20 0.41
EPHX2 P34913 1/20 0.41
TRPV1 Q8NER1 2/20 0.41
AR P10275 1/20 0.40
DPP4 P27487 1/20 0.40
DPP8 Q6V1X1 1/20 0.40
DPP9 Q86TI2 1/20 0.40
DPP7 Q9UHL4 1/20 0.40
DRD4 P21917 1/20 0.40
HTR2A P28223 1/20 0.40
F2R P25116 1/20 0.39
MCHR1 Q99705 1/20 0.39
ABL1 P00519 1/20 0.38

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
SCHEMBL4789166 0.80 KCNH2 (0.51) KCNH2SCN9ASCN5ABTKSLC6A5
SCHEMBL4788640 0.77 KCNH2 (0.56) KCNH2SCN9ASCN5ASLC6A5MTNR1A
SCHEMBL7031626 0.77 KCNH2 (0.56) KCNH2SCN9ASCN5ASLC6A5MTNR1A
SCHEMBL7031622 0.77 KCNH2 (0.56) KCNH2SCN9ASCN5ASLC6A5MTNR1A
SCHEMBL6824793 0.77 KCNH2 (0.47) KCNH2SCN9ASCN5ASLC6A5HTR2A
SCHEMBL6819857 0.77 KCNH2 (0.47) KCNH2SCN9ASCN5ASLC6A5HTR2A
SCHEMBL4842065 0.76 SCN9A (1.00) KCNH2SCN9ASCN5ATRPV1DRD4
SCHEMBL4842078 0.76 SCN9A (1.00) KCNH2SCN9ASCN5ATRPV1DRD4
SCHEMBL7026264 0.74 MTNR1A (0.59) KCNH2SCN9ASCN5AMTNR1AMTNR1B
SCHEMBL6820334 0.74 KCNH2 (0.55) KCNH2SCN9ASCN5ASLC6A5MTNR1A

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-2008130321-A2 NOVEL N-TETRAHYDRONAPHTALENE OR 5-HETEROCYCLYL-CHROMANE OR 8-HETEROCYCLYL-TETRAHYDRONAPHTALENE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO claimed
WO-2008130321-A2 NOVEL N-TETRAHYDRONAPHTALENE OR 5-HETEROCYCLYL-CHROMANE OR 8-HETEROCYCLYL-TETRAHYDRONAPHTALENE DERIVATIVES FOR THE TREATMENT OF PAIN ASTRAZENECA AB (SE) 2008-10-30 WO disclosed