SCHEMBL6966701

SCHEMBL6966701

Cc1cc(Cc2[c]cc(OCc3ccccc3)cc2OCCN2CCCC2)ccc1CN

nearest known ligand 0.47

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 11/20 0.47
TDP1 Q9NUW8 1/20 0.43
HTT P42858 1/20 0.43
HRH1 P35367 3/20 0.43
DRD1 P21728 2/20 0.43
DRD4 P21917 2/20 0.43
DRD5 P21918 2/20 0.43
DRD3 P35462 2/20 0.43
DRD2 P14416 1/20 0.42
HRH3 Q9Y5N1 1/20 0.41
KCNH2 Q12809 2/20 0.40
MCHR1 Q99705 2/20 0.40

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
SCHEMBL6967192 0.91 LTA4H (0.47) LTA4HTDP1HTTHRH1DRD1
SCHEMBL6960995 0.86 LTA4H (0.42) LTA4HTDP1HTTHRH1DRD1
SCHEMBL7819929 0.81 S1PR1 (0.38) LTA4HHTTHRH3KCNH2MCHR1
SCHEMBL6963429 0.81 LTA4H (0.56) LTA4HHTTHRH1DRD1DRD4
SCHEMBL7818684 0.81 DRD2 (0.41) LTA4HDRD4DRD2HRH3MCHR1
SCHEMBL7445212 0.80 F2 (0.46) LTA4HTDP1HTTHRH1DRD1
SCHEMBL8127544 0.80 POLB (0.43) LTA4HHTT
SCHEMBL7818112 0.78 S1PR1 (0.47) HRH3MCHR1
SCHEMBL7346673 0.77 LTA4H (0.54) LTA4HHTTHRH3KCNH2MCHR1
SCHEMBL7818690 0.74 S1PR1 (0.39) HRH3MCHR1

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