SCHEMBL6693579

SCHEMBL6693579

COc1ccc(Cl)c2c1c1c(n2Cc2ccccc2)CCCC1C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
FABP4 P15090 7/20 0.44
TSPO P30536 2/20 0.44
FABP3 P05413 1/20 0.42
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
HTR6 P50406 2/20 0.40
PLA2G2A P14555 2/20 0.39
S1PR1 P21453 1/20 0.38
S1PR5 Q9H228 1/20 0.38

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
SCHEMBL6694139 0.92 TSPO (0.42) FABP4TSPOFABP3HCRTR1HCRTR2
SCHEMBL5864637 0.90 FABP4 (0.43) FABP4TSPOFABP3PLA2G2A
SCHEMBL6688729 0.90 TSPO (0.43) FABP4TSPOHCRTR1HCRTR2HTR6
SCHEMBL416598 0.89 TSPO (0.42) FABP4TSPOHCRTR1HCRTR2
SCHEMBL17286656 0.87 PLA2G2A (0.40) HCRTR1HCRTR2PLA2G2A
SCHEMBL12748229 0.86 TSPO (0.44) FABP4TSPO
SCHEMBL12748236 0.86 TSPO (0.44) FABP4TSPO
SCHEMBL480340 0.86 TSPO (0.55) TSPO
SCHEMBL12748241 0.86 TSPO (0.44) FABP4TSPO
SCHEMBL6696662 0.85 PLA2G2A (0.45) TSPOHTR6PLA2G2A

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
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