SCHEMBL6896346

SCHEMBL6896346

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1Br

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.41
SLC6A4 P31645 1/20 0.41
DRD2 P14416 1/20 0.40
TBXA2R P21731 1/20 0.40
ABCB1 P08183 1/20 0.40
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
ALDH1A1 P00352 3/20 0.37
KDM4E B2RXH2 2/20 0.37
KMT2A Q03164 2/20 0.37
MEN1 O00255 1/20 0.37
KDR P35968 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
GAA P10253 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MIF P14174 1/20 0.36
POLB P06746 1/20 0.36
P2RX7 Q99572 1/20 0.36
HPGD P15428 1/20 0.36
PTGDR2 Q9Y5Y4 1/20 0.35

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
SCHEMBL6894500 0.92 PTGDR2 (0.39) SLC6A3HSP90AA1HSP90B1ALDH1A1KDM4E
SCHEMBL6887896 0.90 MAPT (0.44) SLC6A3SLC6A4DRD2TBXA2RABCB1
SCHEMBL6897905 0.90 DRD2 (0.43) SLC6A3SLC6A4DRD2TBXA2RHSP90AA1
SCHEMBL6889740 0.89 SLC6A4 (0.41) SLC6A3SLC6A4DRD2TBXA2RABCB1
SCHEMBL6771780 0.89 IKBKB (0.37) ABCB1MIF
SCHEMBL6690879 0.88 DRD2 (0.47) SLC6A3SLC6A4DRD2TBXA2RALDH1A1
SCHEMBL6894724 0.88 SLC6A3 (0.48) SLC6A3SLC6A4DRD2TBXA2RALDH1A1
SCHEMBL6889876 0.88 MAPK8 (0.44) SLC6A3SLC6A4DRD2TBXA2RALDH1A1
SCHEMBL6895138 0.87 HSP90AA1 (0.43) SLC6A3SLC6A4DRD2TBXA2RHSP90AA1
SCHEMBL6895819 0.86 GRIN1 (0.50) SLC6A3SLC6A4DRD2TBXA2RALDH1A1

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