SCHEMBL6163785

SCHEMBL6163785

N#Cc1cccc(CC2(C(N)=O)CC2c2cccc(C#N)c2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.44
MAOA P21397 2/20 0.43
KDM1A O60341 1/20 0.43
MAOB P27338 1/20 0.43
KCNH2 Q12809 1/20 0.42
SIRT2 Q8IXJ6 1/20 0.42
SIRT1 Q96EB6 1/20 0.42
CACNA1F O60840 1/20 0.40
CACNA1D Q01668 1/20 0.40
CACNA1S Q13698 1/20 0.40
CACNA1C Q13936 1/20 0.40
ABCC9 O60706 1/20 0.39
ABCC8 Q09428 1/20 0.39
KCNJ11 Q14654 1/20 0.39
KCNJ8 Q15842 1/20 0.39
MAPK8 P45983 1/20 0.39
MEP1A Q16819 1/20 0.39
MEP1B Q16820 1/20 0.39
GSK3B P49841 1/20 0.39
DPP4 P27487 1/20 0.39

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
SCHEMBL6165121 0.78 PRSS1 (0.46) MAOAKDM1AMAOB
SCHEMBL6165126 0.75 MAOA (0.33) MAOAKDM1AMAOB
SCHEMBL28958186 0.69 DRD2 (0.47) MAOAKDM1AMAOBABCC9ABCC8
SCHEMBL30125283 0.69 DRD2 (0.47) MAOAKDM1AMAOBABCC9ABCC8
SCHEMBL31083652 0.69 DRD2 (0.47) MAOAKDM1AMAOBABCC9ABCC8
SCHEMBL16225212 0.69 MAOA (0.55) EPHX1MAOAKDM1AMAOBMEP1A
SCHEMBL6714339 0.69 MAPK8 (0.56) EPHX1SIRT2SIRT1MAPK8MEP1A
SCHEMBL30489963 0.69 MAPK8 (0.56) EPHX1SIRT2SIRT1MAPK8MEP1A
SCHEMBL7101781 0.68 SIRT2 (0.41) EPHX1KCNH2SIRT2SIRT1MAPK8
SCHEMBL7423776 0.68 EPHX1 (0.41) EPHX1KCNH2SIRT2SIRT1MAPK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1254136-A4 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD (KR) 2005-06-01 EP disclosed
EP-1254136-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG Chem Investment, Ltd. (KR) 2002-11-06 EP disclosed
WO-2001055146-A1 FACTOR Xa INHIBITORS WITH ARYL-AMIDINES AND DERIVATIVES, AND PRODRUGS THEREOF LG CHEM INVESTMENT LTD. (KR) 2001-08-02 WO disclosed