SCHEMBL6961322

SCHEMBL6961322

Oc1ccc(Cc2[c]cccc2OCCN2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HRH1 P35367 6/20 0.51
DRD1 P21728 4/20 0.51
DRD3 P35462 4/20 0.51
DRD4 P21917 3/20 0.51
DRD5 P21918 3/20 0.51
DRD2 P14416 3/20 0.50
LTA4H P09960 9/20 0.47
PSMB1 P20618 1/20 0.47
PSMB5 P28074 1/20 0.47
PSMB2 P49721 1/20 0.47
TDP1 Q9NUW8 1/20 0.46
TSHR P16473 1/20 0.45

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
SCHEMBL7447035 0.88 PSMB1 (0.64) HRH1DRD1DRD3DRD4DRD5
SCHEMBL7348634 0.86 PSMB1 (0.55) LTA4HPSMB1PSMB5PSMB2
SCHEMBL6963616 0.83 LTA4H (0.52) HRH1DRD1DRD3DRD4DRD5
SCHEMBL6961402 0.82 LTA4H (0.48) HRH1DRD1DRD3DRD4DRD5
SCHEMBL6969448 0.82 LTA4H (0.50) HRH1DRD1DRD3DRD4DRD5
SCHEMBL6956973 0.81 LTA4H (0.49) HRH1DRD1DRD3DRD4DRD5
SCHEMBL7354993 0.80 PSMB1 (0.51) LTA4HPSMB1PSMB5PSMB2
SCHEMBL6958135 0.80 TDP1 (0.49) HRH1DRD1DRD3DRD4DRD5
SCHEMBL7349031 0.79 LTA4H (0.49) LTA4HPSMB1PSMB5PSMB2
SCHEMBL6957785 0.79 LTA4H (0.46) LTA4HPSMB1PSMB5PSMB2

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 6 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-0993300-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2002-07-31 EP disclosed
EP-0993300-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-04-19 EP disclosed
EP-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
WO-1998048798-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO disclosed