SCHEMBL6897098

SCHEMBL6897098

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

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 2/20 0.44
DRD2 P14416 2/20 0.41
TBXA2R P21731 2/20 0.41
ABCB1 P08183 1/20 0.40
P2RX7 Q99572 2/20 0.39
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
MAPT P10636 4/20 0.38
PLA2G2A P14555 3/20 0.38
POLB P06746 1/20 0.37
CNR1 P21554 1/20 0.37
MAPK8 P45983 2/20 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) DRD2TBXA2RABCB1P2RX7SLC6A4
SCHEMBL6889569 0.92 MAPK8 (0.43) CYP19A1SLC6A3MAPTPLA2G2APOLB
SCHEMBL6690879 0.91 DRD2 (0.47) DRD2TBXA2RP2RX7SLC6A4SLC6A3
SCHEMBL6890338 0.90 MAPT (0.44) DRD2TBXA2RP2RX7SLC6A4SLC6A3
SCHEMBL6894303 0.90 DRD2 (0.44) DRD2TBXA2RP2RX7SLC6A4SLC6A3
SCHEMBL6894657 0.89 MAPT (0.42) DRD2TBXA2RABCB1P2RX7SLC6A4
SCHEMBL6892182 0.88 DRD2 (0.43) DRD2TBXA2RP2RX7SLC6A4SLC6A3
SCHEMBL6776710 0.88 PLA2G2A (0.41) CYP19A1ABCB1PLA2G2ACNR1MAPK8
SCHEMBL6895281 0.86 FAAH (0.44) DRD2TBXA2RSLC6A4SLC6A3MAPT
SCHEMBL6895025 0.86 GRIN1 (0.45) DRD2TBXA2RP2RX7POLBCNR1

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