SCHEMBL6949690

SCHEMBL6949690

CCCCCCCCCCCCN(C)C(=O)CBr

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 5/20 0.50
DNM1 Q05193 3/20 0.44
SIGMAR1 Q99720 2/20 0.43
KDM5A P29375 4/20 0.41
PHF8 Q9UPP1 3/20 0.41
KDM4C Q9H3R0 3/20 0.41
S1PR2 O95136 1/20 0.40
S1PR1 P21453 1/20 0.40
S1PR3 Q99500 1/20 0.40
S1PR5 Q9H228 1/20 0.40
ALDH1A1 P00352 1/20 0.40
BCHE P06276 1/20 0.40
ACHE P22303 1/20 0.40
CNR1 P21554 1/20 0.39
FAAH O00519 1/20 0.39
KDM5C P41229 1/20 0.39
KDM5B Q9UGL1 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
SCHEMBL6956140 1.00 EPHX2 (0.50) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL5385396 0.91 CA12 (0.45) EPHX2SIGMAR1KDM5APHF8KDM4C
SCHEMBL28376891 0.84 EPHX2 (0.55) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL7349895 0.83 EPHX2 (0.50) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL2182224 0.83 EPHX2 (0.53) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL4885883 0.83 EPHX2 (0.62) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL8861106 0.83 EPHX2 (0.53) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL28238363 0.83 EPHX2 (0.53) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL17817233 0.83 EPHX2 (0.53) EPHX2DNM1SIGMAR1KDM5APHF8
SCHEMBL18760168 0.83 EPHX2 (0.53) EPHX2DNM1SIGMAR1KDM5APHF8

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-1105377-B1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2003-10-08 EP disclosed
US-6559155-B1 Phospholipase A2 enzyme Lipoprotein Associated Phospholipase A2 inhibitors SMITHKLINE BEECHAM P.L.C. (GB) 2003-05-06 US disclosed
EP-1105377-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2001-06-13 EP disclosed
WO-2000010980-A1 PYRIMIDINONE DERIVATIVES FOR THE TREATMENT OF ATHEROSCLEROSIS SMITHKLINE BEECHAM PLC (GB) 2000-03-02 WO disclosed