SCHEMBL6966960

SCHEMBL6966960

O=C(c1ccc(Cc2ccccc2-c2ccc(OCCN3CCCC3)cc2)cc1)N1CCCC1

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
HRH3 Q9Y5N1 5/20 0.62
KCNH2 Q12809 1/20 0.59
LTA4H P09960 4/20 0.54
KCNA5 P22460 5/20 0.54
DRD3 P35462 5/20 0.53
DRD2 P14416 3/20 0.53
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
PSMB1 P20618 1/20 0.51
PSMB5 P28074 1/20 0.51
PSMB2 P49721 1/20 0.51

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
SCHEMBL7442242 0.87 LTA4H (0.69) HRH3KCNH2LTA4HDRD3DRD2
SCHEMBL7348199 0.85 ESR1 (0.65) HRH3LTA4HPSMB1PSMB5PSMB2
SCHEMBL6968916 0.83 LTA4H (0.53) HRH3KCNH2LTA4HKMT2APSMB1
SCHEMBL7444253 0.83 LTA4H (0.61) HRH3LTA4HDRD3DRD2PSMB1
SCHEMBL7416556 0.83 LTA4H (0.61) HRH3LTA4HDRD3DRD2PSMB1
SCHEMBL7353997 0.83 LTA4H (0.61) HRH3LTA4HDRD3DRD2PSMB1
SCHEMBL6964901 0.83 LTA4H (0.61) HRH3LTA4HDRD3DRD2PSMB1
SCHEMBL7349591 0.83 LTA4H (0.70) HRH3KCNH2LTA4HDRD3DRD2
SCHEMBL6963820 0.82 LTA4H (0.52) HRH3KCNH2LTA4HPSMB1PSMB5
SCHEMBL6969234 0.82 LTA4H (0.52) HRH3KCNH2LTA4HPSMB1PSMB5

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-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed