SCHEMBL7819905

SCHEMBL7819905

O=C(Nc1ccc(-c2ccccc2Cc2ccc(OCCN3CCCC3)cc2)cc1)c1ccon1

nearest known ligand 0.49

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 3/20 0.49
KDR P35968 3/20 0.46
HRH3 Q9Y5N1 3/20 0.46
EPHX2 P34913 1/20 0.45
LTA4H P09960 5/20 0.44
PIK3CA P42336 1/20 0.43
MTOR P42345 1/20 0.43
AURKA O14965 2/20 0.43
FLT3 P36888 1/20 0.42
PSMB1 P20618 1/20 0.42
PSMB5 P28074 1/20 0.42
PSMB2 P49721 1/20 0.42
CLK2 P49760 1/20 0.42
CLK3 P49761 1/20 0.42
DYRK1A Q13627 1/20 0.42

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
SCHEMBL7819888 0.86 MCHR1 (0.49) MCHR1KDRHRH3EPHX2LTA4H
SCHEMBL7822121 0.84 MCHR1 (0.49) MCHR1KDRHRH3EPHX2LTA4H
Oxalic Acid SCHEMBL6170244 0.80 F2 (0.52) MCHR1
SCHEMBL7442242 0.79 LTA4H (0.69) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7446649 0.77 LTA4H (0.57) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7348199 0.77 ESR1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6968916 0.77 LTA4H (0.53) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL7820678 0.76 LTA4H (0.47) MCHR1KDRHRH3EPHX2LTA4H
SCHEMBL6963820 0.76 LTA4H (0.52) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6966960 0.76 HRH3 (0.62) HRH3LTA4HPSMB1PSMB5PSMB2

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