SCHEMBL6605680

SCHEMBL6605680

COc1cc(-c2cc3ccccc3s2)ccc1OCCN1CCCC1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.55
MCHR1 Q99705 15/20 0.52
ADORA2A P29274 1/20 0.48
ADORA1 P30542 1/20 0.48
CHRM4 P08173 1/20 0.47
CYP3A4 P08684 1/20 0.47
CHRM5 P08912 1/20 0.47
ADRA2A P08913 1/20 0.47
CYP2D6 P10635 1/20 0.47
CHRM1 P11229 1/20 0.47
CHRM3 P20309 1/20 0.47
ADRA1D P25100 1/20 0.47
HTR1D P28221 1/20 0.47
HTR2C P28335 1/20 0.47
CYP2C19 P33261 1/20 0.47
DRD3 P35462 1/20 0.47
HTR2B P41595 1/20 0.47
HTR5A P47898 1/20 0.47
KCNH2 Q12809 1/20 0.47
TMEM97 Q5BJF2 1/20 0.47

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
SCHEMBL6603679 0.86 APP (0.45) LTA4HMCHR1CYP2D6CYP2C19
SCHEMBL6594650 0.82 LTA4H (0.60) LTA4HDRD3HRH3
SCHEMBL6596911 0.81 LTA4H (0.55) LTA4HMCHR1SIGMAR1HRH3
SCHEMBL6957842 0.80 MCHR1 (0.70) LTA4HMCHR1HTR2CHTR2B
SCHEMBL10436312 0.79 TNFRSF1A (0.61)
SCHEMBL7445580 0.76 POLB (0.54) LTA4HMCHR1KCNH2HRH3
SCHEMBL7768257 0.75 ESR1 (0.56) LTA4HKCNH2HRH3
SCHEMBL220877 0.75 NOS3 (0.61) LTA4HMCHR1ADORA2AADORA1HRH3
SCHEMBL6593929 0.74 ESR1 (0.56) LTA4HHRH3
SCHEMBL6595152 0.74 LTA4H (0.55) LTA4HHRH3

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-1244655-B1 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2004-02-18 EP disclosed
US-6620837-B1 1-Benzothiophene derivatives ELI LILLY AND COMPANY 2003-09-16 US disclosed
EP-0980367-A4 ANTITHROMBOTIC AGENTS LILLY CO ELI (US) 2003-03-19 EP disclosed
US-6350774-B1 Antithrombotic agents ELI LILLY AND COMPANY 2002-02-26 US 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