SCHEMBL5196858

SCHEMBL5196858

CC(=CCC(C)N)c1cncc(Oc2ccc(Cl)cc2)c1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.40
P2RX3 P56373 15/20 0.40
XDH P47989 1/20 0.37
SLC22A12 Q96S37 1/20 0.37
KCNH2 Q12809 1/20 0.36
SCN5A Q14524 1/20 0.36
SCN9A Q15858 1/20 0.36
CCNC P24863 1/20 0.36
CDK8 P49336 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
SIRT1 Q96EB6 1/20 0.36
SIRT3 Q9NTG7 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
SCHEMBL365734 0.81 MKNK2 (0.37)
SCHEMBL1691836 0.80 CHRNB2 (0.41)
SCHEMBL7529716 0.74 KDM4E (0.40)
SCHEMBL5196868 0.73 LNPEP (0.37) KCNH2
SCHEMBL6453865 0.72 KDM4E (0.44)
SCHEMBL4422415 0.70 HCAR2 (0.32)
SCHEMBL7071083 0.69 MKNK2 (0.35) KCNH2
SCHEMBL5199056 0.68 TBXAS1 (0.51) KCNH2SIRT2SIRT1SIRT3
SCHEMBL11491916 0.68 MAOB (0.44) LTA4HKCNH2
SCHEMBL5196853 0.67 CHRNB2 (0.42) P2RX3XDHSLC22A12KCNH2SCN5A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1814853-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP claimed
WO-2006053039-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO claimed
EP-1814852-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS Targacept, Inc. (US) 2007-08-08 EP disclosed
WO-2006053082-A2 HYDROXYBENZOATE SALTS OF METANICOTINE COMPOUNDS TARGACEPT, INC. (US) 2006-05-18 WO disclosed