SCHEMBL4789135

SCHEMBL4789135

Cc1ccc(CN(C)Cc2ccccc2)c2c1CC[C@@H](NC(=O)c1nn(-c3ccccc3)nc1C)C2

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 3/20 0.47
SCN9A Q15858 3/20 0.47
SCN5A Q14524 2/20 0.47
HDAC1 Q13547 2/20 0.40
KDM4E B2RXH2 4/20 0.38
RIPK1 Q13546 1/20 0.38
LMNA P02545 1/20 0.38
ADORA3 P0DMS8 1/20 0.38
PKM P14618 1/20 0.38
ADORA2A P29274 1/20 0.38
ADORA2B P29275 1/20 0.38
ADORA1 P30542 1/20 0.38
KAT2B Q92831 1/20 0.38
MAPT P10636 3/20 0.37
POLB P06746 1/20 0.37
MAPK14 Q16539 1/20 0.36
ALDH1A1 P00352 2/20 0.34
HPGD P15428 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.34

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
SCHEMBL4786571 0.82 KCNH2 (0.47) KCNH2SCN9ASCN5AHDAC1LMNA
SCHEMBL4786516 0.75 MCHR1 (0.44) KCNH2SCN9ASCN5ATMEM97SIGMAR1
SCHEMBL4787985 0.73 MTNR1A (0.48) KCNH2SCN9ASCN5AADORA2AMAPT
SCHEMBL4785773 0.72 KCNH2 (0.72) KCNH2SCN9ASCN5AHDAC1KDM4E
SCHEMBL4788501 0.72 KCNH2 (0.72) KCNH2SCN9ASCN5AHDAC1KDM4E
SCHEMBL316094 0.72 KCNH2 (0.49) KCNH2SCN9ASCN5AHDAC1KDM4E
SCHEMBL841303 0.71 SCN9A (0.71) KCNH2SCN9ASCN5AHDAC1KDM4E
SCHEMBL4786772 0.71 MTNR1A (0.49) KCNH2SCN9ASCN5AADORA2AMAPT
SCHEMBL4789252 0.70 KCNH2 (0.50) KCNH2SCN9ASCN5AKDM4EMAPT
SCHEMBL315123 0.70 KCNH2 (0.45) KCNH2SCN9ASCN5AHDAC1KDM4E

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