SCHEMBL4733711

SCHEMBL4733711

CCN(c1cccc(CN(C(=O)c2cccn2C)c2ccc(F)cc2)c1)C1CC1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
NPSR1 Q6W5P4 2/20 0.39
KDM4E B2RXH2 1/20 0.39
HTT P42858 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ACHE P22303 2/20 0.38
OPRM1 P35372 1/20 0.37
NR1H4 Q96RI1 1/20 0.37
CHRM1 P11229 2/20 0.37
CHRM3 P20309 2/20 0.37
CHRM5 P08912 1/20 0.37
ALDH1A1 P00352 1/20 0.36
HPGD P15428 1/20 0.36
CHRM2 P08172 1/20 0.36

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
SCHEMBL4734946 0.82 LMNA (0.58) LMNAMAPTNPSR1KDM4EHTT
SCHEMBL3821794 0.81 OPRM1 (0.39) LMNAMAPTNPSR1KDM4EHTT
SCHEMBL3059109 0.80 ACHE (0.39) LMNAACHEOPRM1CHRM1CHRM3
Hydrochloric Acid SCHEMBL3064216 0.79 ACHE (0.39) LMNAACHEOPRM1CHRM1CHRM3
SCHEMBL4738981 0.79 LMNA (0.41) LMNAACHEOPRM1NR1H4CHRM1
SCHEMBL3064159 0.79 CHRM1 (0.42) ACHENR1H4CHRM1CHRM3CHRM5
SCHEMBL3819363 0.79 ATM (0.39) LMNAACHEOPRM1NR1H4CHRM1
SCHEMBL4735205 0.78 ALDH1A1 (0.41) LMNAMAPTACHEOPRM1CHRM1
SCHEMBL4737099 0.76 ALDH1A1 (0.43) LMNAMAPTNPSR1KDM4EHTT
SCHEMBL4739034 0.76 ACHE (0.40) ACHEOPRM1NR1H4CHRM1CHRM3

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-2008073461-A2 ION CHANNEL MODULATORS WYETH (US) 2008-06-19 WO claimed