SCHEMBL8816611

SCHEMBL8816611

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ACHE P22303 4/20 0.44
▸ DRD2 P14416 2/20 0.42
▸ DRD1 P21728 1/20 0.42
▸ DRD4 P21917 1/20 0.42
▸ DRD5 P21918 1/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ PARP1 P09874 1/20 0.41
▸ DYRK3 O43781 1/20 0.41
▸ MAP4K4 O95819 1/20 0.41
▸ PIM1 P11309 1/20 0.41
▸ RPS6KB1 P23443 1/20 0.41
▸ CSNK2A1 P68400 1/20 0.41
▸ PKN2 Q16513 1/20 0.41
▸ PIM3 Q86V86 1/20 0.41
▸ BRSK1 Q8TDC3 1/20 0.41
▸ AURKB Q96GD4 1/20 0.41
▸ HIPK2 Q9H2X6 1/20 0.41
▸ CLK4 Q9HAZ1 1/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.41
▸ STK17A Q9UEE5 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
SCHEMBL8816877 0.95 HRH1 (0.43) ACHEDRD2DRD1DRD4DRD5
SCHEMBL8818593 0.90 ACHE (0.46) ACHELTA4HPARP1TUBB4ATUBB
SCHEMBL8817574 0.89 MAPT (0.42) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8817590 0.89 MAPT (0.42) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8818631 0.88 ACHE (0.42) ACHEDRD2PARP1DYRK3MAP4K4
SCHEMBL8818551 0.87 MAPT (0.47) PARP1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL8817619 0.86 ACHE (0.40) ACHEDRD2PARP1DYRK3MAP4K4
SCHEMBL8078747 0.84 LTA4H (0.47) ACHEDRD2DRD1DRD4DRD5
SCHEMBL8079418 0.84 PARP1 (0.41) ACHEPARP1DYRK3MAP4K4PIM1
SCHEMBL8814982 0.83 LTA4H (0.46) ACHEDRD2LTA4HMAPTSMN1; SMN2

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
WO-1997031635-A1 METHODS OF TREATING OR PREVENTING SLEEP APNEA ELI LILLY AND COMPANY (US) 1997-09-04 — — 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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