SCHEMBL8078747

SCHEMBL8078747

COc1cc(-c2nc3c(Cc4ccccc4)cc(OCCN4CCCC4)cc3[nH]2)cc(OC)c1OC

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 7/20 0.47
▸ ACHE P22303 5/20 0.46
▸ HRH1 P35367 3/20 0.44
▸ DRD1 P21728 2/20 0.44
▸ DRD4 P21917 2/20 0.44
▸ DRD5 P21918 2/20 0.44
▸ DRD3 P35462 2/20 0.44
▸ DRD2 P14416 1/20 0.44
▸ RUNX1 Q01196 1/20 0.42
▸ BRD4 O60885 1/20 0.42
▸ IL17A Q16552 1/20 0.42
▸ DHODH Q02127 2/20 0.41
▸ PARP1 P09874 1/20 0.41

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
SCHEMBL8079505 0.99 ACHE (0.46) LTA4HACHEHRH1DRD1DRD4
SCHEMBL8079672 0.99 ACHE (0.46) LTA4HACHEHRH1DRD1DRD4
SCHEMBL8071362 0.95 DHODH (0.47) LTA4HACHEHRH1DRD1DRD4
SCHEMBL8814982 0.94 LTA4H (0.46) LTA4HACHEDRD3DRD2RUNX1
SCHEMBL8082562 0.93 DRD1 (0.47) LTA4HACHEDRD1DRD4DRD5
SCHEMBL8817564 0.88 ACHE (0.44) ACHEBRD4IL17ADHODHPARP1
SCHEMBL8892025 0.87 ACHE (0.42) LTA4HACHEDRD2RUNX1BRD4
SCHEMBL8891268 0.86 ACHE (0.43) LTA4HACHERUNX1BRD4IL17A
SCHEMBL8891808 0.86 ACHE (0.43) LTA4HACHERUNX1BRD4IL17A
SCHEMBL8817590 0.86 MAPT (0.42) DHODHPARP1

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
JP-2000506529-A — — 2000-05-30 — — JP claimed
WO-1997033873-A1 METHODS OF TREATING OR PREVENTING INTERSTITIAL CYSTITIS ELI LILLY AND COMPANY (US) 1997-09-18 — — WO claimed
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — WO disclosed
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