SCHEMBL6895819

SCHEMBL6895819

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1C#N

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 10/20 0.50
GRIN2B Q13224 10/20 0.50
NOX4 Q9NPH5 1/20 0.40
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
ALDH1A1 P00352 3/20 0.39
TSHR P16473 1/20 0.39
DRD2 P14416 1/20 0.38
TBXA2R P21731 1/20 0.38
GALR3 O60755 1/20 0.38
RAB9A P51151 1/20 0.38
ACHE P22303 1/20 0.37
ADORA2A P29274 1/20 0.37

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
SCHEMBL6896480 0.93 GRIN1 (0.45) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6776013 0.89 GRIN1 (0.49) GRIN1GRIN2BNOX4ALDH1A1TSHR
SCHEMBL6887896 0.88 MAPT (0.44) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R
SCHEMBL6897905 0.87 DRD2 (0.43) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R
SCHEMBL6889740 0.86 SLC6A4 (0.41) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R
SCHEMBL6896346 0.86 SLC6A3 (0.41) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R
SCHEMBL6891000 0.86 GRIN1 (0.43) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6690879 0.86 DRD2 (0.47) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R
SCHEMBL6692711 0.86 ALDH1A1 (0.46) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6889876 0.85 MAPK8 (0.44) SLC6A4SLC6A3ALDH1A1DRD2TBXA2R

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