SCHEMBL6775913

SCHEMBL6775913

COC(=O)C(Br)Cc1c[nH]c2cccc(OC)c12

nearest known ligand 0.61

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.58
MTNR1B P49286 1/20 0.58
HTR2A P28223 4/20 0.53
HTR6 P50406 2/20 0.51
SCN5A Q14524 1/20 0.46
SCN2A Q99250 1/20 0.46
KMT2A Q03164 4/20 0.44
MEN1 O00255 3/20 0.44
HCRTR1 O43613 1/20 0.44
DRD2 P14416 3/20 0.43
DRD4 P21917 2/20 0.43
DRD3 P35462 2/20 0.43
MAPT P10636 1/20 0.42
HPGD P15428 1/20 0.42
NPBWR1 P48145 1/20 0.42
MCHR1 Q99705 1/20 0.42
HTR1A P08908 1/20 0.42
HTR7 P34969 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
SCHEMBL6775637 0.86 MTNR1A (0.59) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL2013301 0.85 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR6SCN5A
Hydrochloric Acid SCHEMBL28174730 0.84 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
Hydrochloric Acid SCHEMBL28174732 0.84 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24328893 0.80 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24328917 0.80 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL28409765 0.80 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL2013303 0.79 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL1461064 0.79 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL1461062 0.79 KMT2A (0.61) MTNR1AMTNR1BHTR2AHTR6SCN5A

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6713645-B1 INHIBITING SPLA2 MEDIATED RELEASE OF FATTY ACIDS FOR TREATMENT OF CONDITIONS SUCH AS SEPTIC SHOCK ELI LILLY AND COMPANY 2004-03-30 US disclosed
EP-0950661-B1 Substituted tricyclics useful in sPLA2 induced diseases LILLY CO ELI (US) 2003-11-12 EP disclosed
EP-1156050-A2 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 2001-11-21 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0950661-A1 Substituted tricyclics useful in sPLA2 induced diseases ELI LILLY AND COMPANY (US) 1999-10-20 EP disclosed