SCHEMBL6690535

SCHEMBL6690535

COc1cccc2c1c1c(n2Cc2ccccc2)CCCC1C(=O)O

nearest known ligand 0.57

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSPO P30536 2/20 0.57
PLA2G2A P14555 6/20 0.50
MTNR1A P48039 1/20 0.48
MTNR1B P49286 1/20 0.48
HCRTR1 O43613 1/20 0.47
HCRTR2 O43614 1/20 0.47
HTR6 P50406 3/20 0.46
FABP4 P15090 2/20 0.44

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
SCHEMBL5864512 0.89 TSPO (0.52) TSPOPLA2G2AMTNR1AMTNR1BHCRTR1
SCHEMBL27505510 0.88 HTR6 (0.50) TSPOHCRTR1HCRTR2HTR6FABP4
SCHEMBL11819992 0.87 HTR6 (0.53) TSPOHTR6FABP4
SCHEMBL5508890 0.85 PLA2G2A (0.55) TSPOPLA2G2AMTNR1AMTNR1BHCRTR1
SCHEMBL419235 0.85 TSPO (0.77) TSPO
SCHEMBL5506734 0.85 PLA2G2A (0.50) TSPOPLA2G2AMTNR1AMTNR1BHCRTR1
SCHEMBL21696320 0.85 TSPO (0.62) TSPO
SCHEMBL30106112 0.85 TSPO (0.77) TSPO
SCHEMBL6693579 0.85 FABP4 (0.44) TSPOPLA2G2AHCRTR1HCRTR2HTR6
SCHEMBL6694132 0.84 PLA2G2A (0.46) TSPOPLA2G2AHTR6FABP4

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
EP-0952149-A2 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors ELI LILLY AND COMPANY (US) 1999-10-27 EP claimed
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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
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