SCHEMBL7821101

SCHEMBL7821101

O=C1CC(C(=O)Cc2ccc(-c3ccccc3Cc3ccc(OCCN4CCCC4)cc3)cc2)CN1

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 14/20 0.45
HRH3 Q9Y5N1 2/20 0.45
PSMB1 P20618 1/20 0.43
PSMB5 P28074 1/20 0.43
PSMB2 P49721 1/20 0.43
HTT P42858 1/20 0.42
KCNH2 Q12809 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
SCHEMBL7823241 0.88 EPHX2 (0.44) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7808978 0.83 LTA4H (0.45) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7442242 0.79 LTA4H (0.69) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7348199 0.77 ESR1 (0.65) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6966960 0.76 HRH3 (0.62) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7824372 0.76 EPHX2 (0.44) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6968916 0.76 LTA4H (0.53) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7349591 0.75 LTA4H (0.70) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL6964901 0.75 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2
SCHEMBL7444253 0.75 LTA4H (0.61) LTA4HHRH3PSMB1PSMB5PSMB2

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