SCHEMBL6894657

SCHEMBL6894657

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

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.42
L3MBTL1 Q9Y468 2/20 0.42
DRD2 P14416 2/20 0.41
TBXA2R P21731 2/20 0.41
HSP90AA1 P07900 1/20 0.40
HSP90B1 P14625 1/20 0.40
ABCB1 P08183 1/20 0.40
GRIN1 Q05586 4/20 0.40
GRIN2B Q13224 4/20 0.40
LMNA P02545 1/20 0.39
GLA P06280 1/20 0.39
IDO1 P14902 1/20 0.39
P2RX7 Q99572 1/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
PLA2G2A P14555 3/20 0.38
F10 P00742 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 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
SCHEMBL6897038 0.92 PLA2G2A (0.46) MAPTDRD2TBXA2RABCB1GRIN1
SCHEMBL6897173 0.92 MAPT (0.44) MAPTL3MBTL1GRIN1GRIN2BLMNA
SCHEMBL6690879 0.91 DRD2 (0.47) MAPTDRD2TBXA2RP2RX7SLC6A4
SCHEMBL6894303 0.90 DRD2 (0.44) MAPTDRD2TBXA2RP2RX7SLC6A4
SCHEMBL6890338 0.90 MAPT (0.44) MAPTL3MBTL1DRD2TBXA2RP2RX7
SCHEMBL6897098 0.89 CYP19A1 (0.44) MAPTDRD2TBXA2RABCB1P2RX7
SCHEMBL6890365 0.88 PPARG (0.46) MAPTL3MBTL1DRD2TBXA2RABCB1
SCHEMBL6892182 0.88 DRD2 (0.43) MAPTDRD2TBXA2RP2RX7SLC6A4
SCHEMBL6772770 0.88 PLA2G2A (0.41) MAPTL3MBTL1GRIN1GRIN2BLMNA
SCHEMBL6895281 0.86 FAAH (0.44) MAPTDRD2TBXA2RSLC6A4SLC6A3

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