SCHEMBL7962843

SCHEMBL7962843

COc1ccc2c(c1)c(CC(=O)NN)cn2Cc1ccccc1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 13/20 1.00
MTNR1A P48039 1/20 0.67
MTNR1B P49286 1/20 0.67
HTR6 P50406 1/20 0.61
PPARG P37231 1/20 0.60
PPARD Q03181 1/20 0.60
PPARA Q07869 1/20 0.60
ALDH1A1 P00352 1/20 0.59
LMNA P02545 1/20 0.59
ICMT O60725 2/20 0.57

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
SCHEMBL9096563 0.89 PLA2G2A (0.80) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL7963252 0.89 PLA2G2A (1.00) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL20769739 0.89 PLA2G2A (0.83) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL8299582 0.88 PLA2G2A (0.78) PLA2G2AMTNR1AMTNR1BPPARGPPARD
SCHEMBL8292030 0.87 PLA2G2A (0.77) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL8298577 0.86 PLA2G2A (0.76) PLA2G2AMTNR1AMTNR1BICMT
SCHEMBL7962690 0.83 PLA2G2A (0.74) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL8290865 0.83 PLA2G2A (0.74) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL8805497 0.83 PLA2G2A (0.71) PLA2G2AMTNR1AMTNR1BHTR6PPARG
SCHEMBL12083183 0.83 PLA2G2A (0.74) PLA2G2AMTNR1AMTNR1BHTR6PPARG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed