SCHEMBL6895138

SCHEMBL6895138

COC(=O)c1cccc2c1c1c(O)cc(-c3ccc(Cl)cc3)cc1n2Cc1ccccc1Cc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 10/20 0.43
DRD2 P14416 3/20 0.41
TBXA2R P21731 3/20 0.41
SLC6A4 P31645 1/20 0.40
SLC6A3 Q01959 1/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G2A P14555 1/20 0.40
ALOX5 P09917 1/20 0.38
MAPK8 P45983 1/20 0.38
MAPK9 P45984 1/20 0.38
KDM4E B2RXH2 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
POLB P06746 1/20 0.37
MAPT P10636 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
SCHEMBL6895052 0.93 PLA2G1B (0.42) HSP90AA1PLA2G1BPLA2G2AKDM4ENPSR1
SCHEMBL6690879 0.93 DRD2 (0.47) DRD2TBXA2RSLC6A4SLC6A3PLA2G2A
SCHEMBL6892182 0.91 DRD2 (0.43) DRD2TBXA2RSLC6A4SLC6A3PLA2G2A
SCHEMBL6897905 0.90 DRD2 (0.43) HSP90AA1DRD2TBXA2RSLC6A4SLC6A3
SCHEMBL6894303 0.89 DRD2 (0.44) DRD2TBXA2RSLC6A4SLC6A3PLA2G1B
SCHEMBL6770388 0.89 PLA2G2A (0.41) HSP90AA1PLA2G1BPLA2G2AALOX5
SCHEMBL6887896 0.89 MAPT (0.44) DRD2TBXA2RSLC6A4SLC6A3PLA2G2A
SCHEMBL6894724 0.88 SLC6A3 (0.48) DRD2TBXA2RSLC6A4SLC6A3PLA2G1B
SCHEMBL6889740 0.87 SLC6A4 (0.41) HSP90AA1DRD2TBXA2RSLC6A4SLC6A3
SCHEMBL6896346 0.87 SLC6A3 (0.41) HSP90AA1DRD2TBXA2RSLC6A4SLC6A3

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