SCHEMBL7822121

SCHEMBL7822121

O=C(Nc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1)c1ccno1

nearest known ligand 0.49

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
KDR P35968 3/20 0.47
EPHX2 P34913 1/20 0.46
LTA4H P09960 6/20 0.45
HRH3 Q9Y5N1 2/20 0.45
CLK2 P49760 1/20 0.44
CLK3 P49761 1/20 0.44
DYRK1A Q13627 1/20 0.44
PIK3CA P42336 1/20 0.44
MTOR P42345 1/20 0.44
AURKA O14965 2/20 0.43
FLT3 P36888 1/20 0.43
CCNE2 O96020 1/20 0.43
CCNE1 P24864 1/20 0.43
CDK2 P24941 1/20 0.43
GSK3B P49841 1/20 0.43

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
SCHEMBL7819905 0.84 MCHR1 (0.49) MCHR1KDREPHX2LTA4HHRH3
SCHEMBL7819888 0.83 MCHR1 (0.49) MCHR1KDREPHX2LTA4HHRH3
Oxalic Acid SCHEMBL6176245 0.80 F2 (0.51) MCHR1
SCHEMBL7446649 0.80 LTA4H (0.57) LTA4HHRH3
SCHEMBL7824372 0.79 EPHX2 (0.44) MCHR1KDREPHX2LTA4HHRH3
SCHEMBL7442242 0.79 LTA4H (0.69) LTA4HHRH3
SCHEMBL7823241 0.78 EPHX2 (0.44) MCHR1KDREPHX2LTA4HHRH3
SCHEMBL7819902 0.78 MCHR1 (0.46) MCHR1KDREPHX2LTA4HHRH3
SCHEMBL7348199 0.77 ESR1 (0.65) LTA4HHRH3
SCHEMBL6968916 0.77 LTA4H (0.53) LTA4HHRH3

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-1027051-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2001-03-07 EP disclosed
EP-1027051-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-08-16 EP disclosed
WO-1998048804-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed