SCHEMBL7808978

SCHEMBL7808978

O=C1CCC(C(=O)Cc2ccc(-c3ccccc3Cc3ccc(OCCN4CCCC4)cc3)cc2)N1

nearest known ligand 0.45

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.45
HRH3 Q9Y5N1 3/20 0.45
KCNH2 Q12809 1/20 0.44
TNF P01375 1/20 0.43
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
HTT P42858 1/20 0.42
KDM4E B2RXH2 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL7819902 0.88 MCHR1 (0.46) LTA4HHRH3KCNH2TNF
SCHEMBL7820776 0.84 MCHR1 (0.45) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL7821101 0.83 LTA4H (0.45) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL7442242 0.79 LTA4H (0.69) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL7348199 0.77 ESR1 (0.65) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7818364 0.77 CD274 (0.43) LTA4HHRH3KCNH2TNFPSMB1
SCHEMBL6965066 0.76 LTA4H (0.54) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6966960 0.76 HRH3 (0.62) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL7824372 0.76 EPHX2 (0.44) LTA4HHRH3KCNH2PSMB1PSMB5
SCHEMBL6968916 0.76 LTA4H (0.53) LTA4HHRH3KCNH2PSMB1PSMB5

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