SCHEMBL7447035

SCHEMBL7447035

[c]1cccc(OCCN2CCCC2)c1Cc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.64

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 1/20 0.64
PSMB5 P28074 1/20 0.64
PSMB2 P49721 1/20 0.64
LTA4H P09960 10/20 0.62
HRH3 Q9Y5N1 7/20 0.59
HRH1 P35367 2/20 0.53
DRD2 P14416 1/20 0.53
DRD1 P21728 1/20 0.53
DRD4 P21917 1/20 0.53
DRD5 P21918 1/20 0.53
DRD3 P35462 1/20 0.53
ACHE P22303 1/20 0.51
RAD52 P43351 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
SCHEMBL7348634 0.93 PSMB1 (0.55) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL7354993 0.89 PSMB1 (0.51) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL6969448 0.88 LTA4H (0.50) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL6963616 0.88 LTA4H (0.52) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL6961322 0.88 HRH1 (0.51) PSMB1PSMB5PSMB2LTA4HHRH1
SCHEMBL6956973 0.88 LTA4H (0.49) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL6961402 0.87 LTA4H (0.48) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL7440783 0.87 LTA4H (0.48) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL7349031 0.86 LTA4H (0.49) PSMB1PSMB5PSMB2LTA4HHRH3
SCHEMBL6969035 0.85 LTA4H (0.47) PSMB1PSMB5PSMB2LTA4HHRH3

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-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
EP-0863755-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1998-09-16 EP disclosed
WO-1997025033-A1 ANTITHROMBOTIC DIAMINES ELI LILLY AND COMPANY (US) 1997-07-17 WO disclosed