SCHEMBL6896480

SCHEMBL6896480

COC(=O)c1cccc2c1c1c(O)cc(-c3ccccc3)cc1n2Cc1ccccc1C#N

nearest known ligand 0.45

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
GRIN1 Q05586 11/20 0.45
GRIN2B Q13224 11/20 0.45
NOX4 Q9NPH5 1/20 0.42
RXFP1 Q9HBX9 1/20 0.41
ALDH1A1 P00352 3/20 0.41
TSHR P16473 3/20 0.41
GALR3 O60755 1/20 0.40
RAB9A P51151 1/20 0.40
LMNA P02545 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
SCHEMBL6895819 0.93 GRIN1 (0.50) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6891000 0.89 GRIN1 (0.43) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6692711 0.89 ALDH1A1 (0.46) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6887101 0.89 NOX4 (0.42) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6773039 0.88 NOX4 (0.43) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6891308 0.87 TSHR (0.42) GRIN1GRIN2BNOX4RXFP1ALDH1A1
SCHEMBL6894747 0.86 PLA2G2A (0.44) ALDH1A1LMNA
SCHEMBL6891733 0.86 MAPT (0.43) ALDH1A1TSHRRAB9ALMNA
SCHEMBL6894204 0.85 L3MBTL1 (0.44) ALDH1A1TSHRLMNA
SCHEMBL6894916 0.85 MAPT (0.45) RXFP1ALDH1A1RAB9ALMNA

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