SCHEMBL6957435

SCHEMBL6957435

[c]1cc(OCCN2CCCC2)cc(OCc2ccccc2)c1

nearest known ligand 0.76

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 8/20 0.76
HTT P42858 2/20 0.67
KCNH2 Q12809 2/20 0.60
MCHR1 Q99705 2/20 0.60
KDM4E B2RXH2 4/20 0.59
NPC1 O15118 3/20 0.59
RAB9A P51151 3/20 0.59
SMN1; SMN2 Q16637 3/20 0.59
HRH3 Q9Y5N1 1/20 0.58
ALDH1A1 P00352 3/20 0.57
NPSR1 Q6W5P4 1/20 0.57
L3MBTL1 Q9Y468 1/20 0.57
NPY1R P25929 1/20 0.56
BACE1 P56817 1/20 0.53

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
SCHEMBL2476820 0.87 LTA4H (1.00) LTA4HHTTKCNH2MCHR1KDM4E
SCHEMBL4688871 0.85 LTA4H (0.97) LTA4HHTTKCNH2MCHR1KDM4E
SCHEMBL20748052 0.85 LTA4H (0.97) LTA4HHTTKCNH2MCHR1KDM4E
SCHEMBL3065928 0.80 MAOB (0.58) RAB9ASMN1; SMN2L3MBTL1
SCHEMBL4689454 0.80 KDM4E (0.86) LTA4HHTTKCNH2KDM4ENPC1
SCHEMBL14970586 0.78 NPC1 (0.87) LTA4HHTTKCNH2KDM4ENPC1
SCHEMBL3581020 0.78 NPC1 (0.87) LTA4HHTTKCNH2KDM4ENPC1
SCHEMBL6960875 0.78 LTA4H (0.78) LTA4HHTTKCNH2MCHR1KDM4E
SCHEMBL6962494 0.78 LTA4H (0.57) LTA4HKDM4ESMN1; SMN2HRH3ALDH1A1
SCHEMBL7443798 0.78 PSMB1 (0.50) LTA4HKDM4EHRH3

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-0980367-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 2000-02-23 EP disclosed
EP-0863755-A4 ANTITHROMBOTIC DIAMINES LILLY CO ELI (US) 1999-01-20 EP disclosed
WO-1998049161-A1 ANTITHROMBOTIC AGENTS ELI LILLY AND COMPANY (US) 1998-11-05 WO 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