SCHEMBL4747580

SCHEMBL4747580

CN1CCC(Nc2cccc3c2C[C@H](N)CO3)CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.37
NSD2 O96028 1/20 0.36
P2RX4 Q99571 1/20 0.35
EZH2 Q15910 2/20 0.34
PIM1 P11309 1/20 0.34
PIM3 Q86V86 1/20 0.34
PIM2 Q9P1W9 1/20 0.34
KAT2B Q92831 1/20 0.34
KCNH2 Q12809 3/20 0.34
SCN9A Q15858 3/20 0.34
SCN5A Q14524 2/20 0.34
CYP3A4 P08684 1/20 0.34
HTR3E A5X5Y0 1/20 0.33
HTR3B O95264 1/20 0.33
CHRM4 P08173 1/20 0.33
CHRM5 P08912 1/20 0.33
CHRNB2 P17787 1/20 0.33
CHRNB4 P30926 1/20 0.33
CHRNA3 P32297 1/20 0.33
HRH1 P35367 1/20 0.33

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
SCHEMBL4747507 0.78 HTR6 (0.40)
SCHEMBL4750047 0.78 SMN1; SMN2 (0.39) HRH1
SCHEMBL4838068 0.75 KCNH2 (0.47) POLBKCNH2SCN9ASCN5A
SCHEMBL14157834 0.75 KCNH2 (0.47) POLBKCNH2SCN9ASCN5A
SCHEMBL4834468 0.75 KCNH2 (0.47) POLBKCNH2SCN9ASCN5A
SCHEMBL4751796 0.75 KCNH2 (0.47) POLBKCNH2SCN9ASCN5A
SCHEMBL4747586 0.74 NOS3 (0.40)
SCHEMBL4788563 0.72 DRD3 (0.42) POLB
SCHEMBL4788569 0.72 DRD3 (0.42) POLB
SCHEMBL4750442 0.72 CNR1 (0.47)

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