SCHEMBL7447444

SCHEMBL7447444

COc1cc(Cc2[c]cccc2OCCN2CCCC2)ccc1CN1CCCC1

nearest known ligand 0.54

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.54
F2 P00734 3/20 0.49
POLB P06746 1/20 0.46
HRH1 P35367 4/20 0.44
DRD1 P21728 3/20 0.44
DRD4 P21917 3/20 0.44
DRD5 P21918 3/20 0.44
DRD3 P35462 3/20 0.44
SIGMAR1 Q99720 1/20 0.43
DRD2 P14416 2/20 0.43
ALDH1A1 P00352 2/20 0.43
KDM4E B2RXH2 1/20 0.43
MAPT P10636 1/20 0.43
MEN1 O00255 1/20 0.42
CYP1A2 P05177 1/20 0.42
CYP2D6 P10635 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL7447332 0.87 LTA4H (0.54) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL7346727 0.84 LTA4H (0.46) LTA4HF2POLBHRH1DRD1
SCHEMBL7441910 0.80 F2 (0.49) LTA4HF2DRD1DRD4DRD5
SCHEMBL6958135 0.79 TDP1 (0.49) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL6961322 0.78 HRH1 (0.51) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL7447035 0.78 PSMB1 (0.64) LTA4HHRH1DRD1DRD4DRD5
SCHEMBL7445212 0.76 F2 (0.46) LTA4HF2HRH1DRD1DRD4
SCHEMBL6963357 0.75 TDP1 (0.44) LTA4HDRD1DRD3DRD2ALDH1A1
SCHEMBL7348634 0.74 PSMB1 (0.55) LTA4H
SCHEMBL7446083 0.74 F2 (0.60) LTA4HF2

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