SCHEMBL6775637

SCHEMBL6775637

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

nearest known ligand 0.62

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MTNR1A P48039 1/20 0.59
MTNR1B P49286 1/20 0.59
HTR2A P28223 4/20 0.54
HTR6 P50406 3/20 0.52
SCN5A Q14524 1/20 0.47
SCN2A Q99250 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
HCRTR1 O43613 1/20 0.45
ADRB2 P07550 1/20 0.44
DRD2 P14416 2/20 0.43
MAPT P10636 1/20 0.43
HPGD P15428 1/20 0.43
DRD4 P21917 1/20 0.43
DRD3 P35462 1/20 0.43
HTR1A P08908 1/20 0.43
HTR7 P34969 1/20 0.43

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
SCHEMBL28409765 0.88 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL24328917 0.88 SMN1; SMN2 (0.60) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL2013301 0.86 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL6775913 0.86 MTNR1A (0.58) MTNR1AMTNR1BHTR2AHTR6SCN5A
Hydrochloric Acid SCHEMBL28174730 0.85 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
Hydrochloric Acid SCHEMBL28174732 0.85 MTNR1A (0.57) MTNR1AMTNR1BHTR2AHTR6SCN5A
SCHEMBL6855264 0.81 SMN1; SMN2 (0.69) HTR2AHTR6SMN1; SMN2KMT2AMEN1
SCHEMBL30912053 0.81 SMN1; SMN2 (0.69) HTR2AHTR6SMN1; SMN2KMT2AMEN1
SCHEMBL30912054 0.81 SMN1; SMN2 (0.69) HTR2AHTR6SMN1; SMN2KMT2AMEN1
SCHEMBL13790109 0.81 SMN1; SMN2 (0.69) HTR2AHTR6SMN1; SMN2KMT2AMEN1

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