SCHEMBL6994885

SCHEMBL6994885

c1ccc2c(c1)CCC2OC1CCCCO1

nearest known ligand 0.50

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 4/20 0.50
CHRNA7 P36544 1/20 0.36
PDPK1 O15530 1/20 0.36
SLC18A3 Q16572 1/20 0.35
SIGMAR1 Q99720 1/20 0.35
KDM4C Q9H3R0 1/20 0.35
GPR84 Q9NQS5 1/20 0.35
PRCP P42785 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
SCHEMBL26419673 0.85 KDM4C (0.39) IDO1KDM4C
SCHEMBL8481056 0.80 HSD11B1 (0.39) KDM4C
SCHEMBL8377336 0.80 SLC6A4 (0.38) IDO1
SCHEMBL12004605 0.78 GID4 (0.35) KDM4C
SCHEMBL13518963 0.78 GID4 (0.35) KDM4C
SCHEMBL10058425 0.78 KDM4C (0.31) KDM4C
SCHEMBL376248 0.78 IDO1 (0.70) IDO1PDPK1GPR84
SCHEMBL8382519 0.77 HSD11B1 (0.33)
SCHEMBL30789930 0.77 HSD11B1 (0.35)
SCHEMBL31511367 0.77 HSD11B1 (0.37) KDM4C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1317459-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS AstraZeneca AB (SE) 2003-06-11 EP disclosed
WO-2002020530-A1 BICYCLIC PYRROLYL AMIDES AS GLUCOGEN PHOSPHORYLASE INHIBITORS ASTRAZENECA AB (SE) 2002-03-14 WO disclosed