SCHEMBL6772774

SCHEMBL6772774

CCCOC(=O)COc1ccc2c(c1)c1c(n2Cc2cc(OC)cc(C(C)C)c2)CCC[C@@H]1C(N)=O

nearest known ligand 0.44

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 3/20 0.42
PLA2G2A P14555 2/20 0.36

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
SCHEMBL6778288 0.92 HTR6 (0.41) HTR6PLA2G2A
SCHEMBL8576600 0.80 MEN1 (0.38) HTR6
SCHEMBL6774224 0.76 PLA2G2A (0.39) PLA2G2A
SCHEMBL6699402 0.75 HTR6 (0.71) HTR6PLA2G2A
SCHEMBL6720082 0.74 HTR6 (0.50) HTR6PLA2G2A
SCHEMBL29862561 0.72 PLA2G2A (0.59) HTR6PLA2G2A
SCHEMBL818539 0.72 PLA2G2A (0.59) HTR6PLA2G2A
SCHEMBL6694896 0.71 PLA2G2A (0.59) HTR6PLA2G2A
SCHEMBL819058 0.70 PLA2G2A (0.61) HTR6PLA2G2A
SCHEMBL8576607 0.70 MEN1 (0.38)

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-0839806-B1 Substituted tricyclics LILLY CO ELI (US) 2003-07-09 EP disclosed
US-6177440-B1 THERAPY FOR SEPSIS SHOCK; PHOSPHOLIPASE INHBITOR ELI LILLY AND COMPANY 2001-01-23 US disclosed
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP disclosed
EP-0839806-A1 Substituted tricyclics ELI LILLY AND COMPANY (US) 1998-05-06 EP disclosed