SCHEMBL4786571

SCHEMBL4786571

Cc1ccc(CN2CCc3ccccc3C2)c2c1CC[C@@H](NC(=O)c1nn(-c3ccccc3)nc1C)C2

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
SCN9A Q15858 3/20 0.47
SCN5A Q14524 2/20 0.47
DRD2 P14416 9/20 0.42
LMNA P02545 4/20 0.38
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
NPSR1 Q6W5P4 1/20 0.37
GLA P06280 1/20 0.37
TSHR P16473 1/20 0.37
HDAC1 Q13547 1/20 0.37

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
SCHEMBL4789135 0.82 KCNH2 (0.47) KCNH2SCN9ASCN5ALMNAHDAC1
SCHEMBL4788153 0.76 NOD1 (0.56) KCNH2SCN9ASCN5ADRD2LMNA
SCHEMBL4788501 0.74 KCNH2 (0.72) KCNH2SCN9ASCN5ADRD2LMNA
SCHEMBL4785773 0.74 KCNH2 (0.72) KCNH2SCN9ASCN5ADRD2LMNA
SCHEMBL4789252 0.74 KCNH2 (0.50) KCNH2SCN9ASCN5ADRD2SMN1; SMN2
SCHEMBL841303 0.72 SCN9A (0.71) KCNH2SCN9ASCN5ALMNAHDAC1
SCHEMBL4788313 0.72 KCNH2 (0.55) KCNH2SCN9ASCN5ALMNASMN1; SMN2
SCHEMBL4786769 0.71 KDM4E (0.46) LMNAHTTSMN1; SMN2NPSR1TSHR
SCHEMBL4786772 0.71 MTNR1A (0.49) KCNH2SCN9ASCN5ADRD2
SCHEMBL4787985 0.70 MTNR1A (0.48) KCNH2SCN9ASCN5A

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