SCHEMBL6895281

SCHEMBL6895281

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1cccc(Oc2ccccc2)c1

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FAAH O00519 7/20 0.44
P2RX3 P56373 4/20 0.42
DRD2 P14416 1/20 0.42
TBXA2R P21731 1/20 0.42
CCR8 P51685 1/20 0.41
KCNH2 Q12809 1/20 0.41
CCR2 P41597 1/20 0.41
PPARG P37231 1/20 0.39
PPARA Q07869 1/20 0.39
MAPT P10636 1/20 0.39
TSPO P30536 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39

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
SCHEMBL6894773 0.94 FAAH (0.43) FAAHCCR8MAPT
SCHEMBL6690879 0.93 DRD2 (0.47) DRD2TBXA2RPPARGMAPTSLC6A4
SCHEMBL6894303 0.91 DRD2 (0.44) DRD2TBXA2RPPARGMAPTSLC6A4
SCHEMBL6774857 0.89 FAAH (0.43) FAAHP2RX3CCR8KCNH2CCR2
SCHEMBL6892182 0.89 DRD2 (0.43) DRD2TBXA2RPPARGMAPTSLC6A4
SCHEMBL6897038 0.89 PLA2G2A (0.46) DRD2TBXA2RCCR2MAPTSLC6A4
SCHEMBL6893122 0.88 CCR8 (0.40) P2RX3DRD2TBXA2RCCR8KCNH2
SCHEMBL6891577 0.88 DRD2 (0.47) DRD2TBXA2RCCR2PPARGSLC6A4
SCHEMBL6890338 0.87 MAPT (0.44) DRD2TBXA2RMAPTSLC6A4SLC6A3
SCHEMBL6896777 0.87 FAAH (0.44) FAAHCCR8MAPT

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 3 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
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