SCHEMBL6692869

SCHEMBL6692869

COc1cc(OCCN)c2c3c(C(N)=O)cccc3n(Cc3ccccc3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PLA2G2A P14555 17/20 0.44
PLA2G10 O15496 2/20 0.41
DRD2 P14416 1/20 0.40
HTR6 P50406 1/20 0.40
PLA2G1B P04054 1/20 0.40
PLA2G5 P39877 1/20 0.40
PLA2G2E Q9NZK7 1/20 0.40
HTR1A P08908 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
SCHEMBL6695139 0.90 PLA2G2A (0.51) PLA2G2APLA2G10
SCHEMBL818181 0.89 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL29862616 0.89 PLA2G2A (0.52) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6693400 0.89 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6693386 0.89 PLA2G2A (0.51) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL6693389 0.87 PLA2G2A (0.54) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL818659 0.87 PLA2G2A (0.43) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E
SCHEMBL29862706 0.87 PLA2G2A (0.41) PLA2G2APLA2G10DRD2HTR6
SCHEMBL818305 0.87 PLA2G2A (0.41) PLA2G2APLA2G10DRD2HTR6
SCHEMBL3258181 0.86 NPC1 (0.48) PLA2G2APLA2G10PLA2G1BPLA2G5PLA2G2E

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0952149-B1 Substituted carbazoles, process for their preparation and their use as sPLA2 inhibitiors LILLY CO ELI (US) 2004-06-09 EP disclosed
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